SCHEMBL560128

SCHEMBL560128

Nc1cccc(-c2cccc(N)c2N)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CD44 P16070 1/20 0.52
CYP3A4 P08684 5/20 0.47
TSHR P16473 5/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CA P42336 1/20 0.45
PTPRC P08575 1/20 0.42
ADORA2A P29274 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KEAP1 Q14145 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4521251 0.97 ALDH1A1 (0.53) ALDH1A1L3MBTL1CD44CYP3A4TSHR
Methane SCHEMBL22720568 0.97 ALDH1A1 (0.53) ALDH1A1L3MBTL1CD44CYP3A4TSHR
SCHEMBL28448451 0.94 ALDH1A1 (0.58) ALDH1A1L3MBTL1CD44CYP3A4TSHR
SCHEMBL2224609 0.91 ALDH1A1 (0.72) ALDH1A1L3MBTL1CD44CYP3A4TSHR
Hydrochloric Acid SCHEMBL1645391 0.91 ALDH1A1 (0.55) ALDH1A1L3MBTL1CD44CYP3A4TSHR
SCHEMBL6228503 0.89 ALDH1A1 (0.46) ALDH1A1L3MBTL1CD44CYP3A4TSHR
SCHEMBL28440948 0.87 ALDH1A1 (0.43) ALDH1A1L3MBTL1CD44CYP3A4TSHR
SCHEMBL7098544 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1CD44CYP3A4TSHR
SCHEMBL6875810 0.83 ALOX15 (0.54) ALDH1A1L3MBTL1CD44CYP3A4TSHR
SCHEMBL17709511 0.83 ALDH1A1 (0.62) ALDH1A1L3MBTL1CD44CYP3A4HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 452 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025545-A Polybenzimidazole polymer containing six-membered cycloalkanes and preparation method and application thereof 中国科学院大连化学物理研究所 2025-05-23 CN claimed
CN-119833664-A Preparation method of phosphoric acid/cystine functionalized MXene/polybenzimidazole composite high-temperature proton exchange membrane for high-temperature fuel cell 黑龙江大学 2025-04-15 CN claimed
CN-118666558-B Flexible aerogel heat-insulating building block and preparation method thereof 河南兴安新型建筑材料有限公司 2025-03-04 CN claimed
WO-2024196847-A2 STRONG POLYBENZIMIDAZOLE (PBI) GEL MEMBRANES WITH HIGH CONDUCTIVITY UNIVERSITY OF SOUTH CAROLINA (US) 2024-09-26 WO claimed
CN-118666558-A Flexible aerogel heat-insulating building block and preparation method thereof 河南兴安新型建筑材料有限公司 2024-09-20 CN claimed
CN-118507757-A Multi-quaternary ammonium salt grafted high-proton conductive polybenzimidazole proton exchange membrane 黑龙江大学 2024-08-16 CN claimed
CN-115894913-B Method for synthesizing polybenzimidazole based on monomer dispersion process 上海四羿科技有限公司 2024-06-21 CN claimed
CN-117700792-A Composite proton exchange membrane for vanadium redox flow battery and preparation method thereof 长春工业大学 2024-03-15 CN claimed
CN-116676038-A Wear-resistant fastener material and preparation method thereof 宁波楦利高强度紧固件有限公司 2023-09-01 CN claimed
CN-115594847-B Polybenzimidazole ion exchange membrane with high oxidation resistance and preparation method and application thereof 上海四羿科技有限公司 2023-08-22 CN claimed
WO-2005063679-A1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-07-14 WO claimed
US-6835854-B1 Oxidation of 3,3'-dichloro 4,4'-diaminobiphenyl (DCB), ammonolysis of the resulting 3,3'-dichloro-4,4'-dinitrobiphenyl (DCDNB) and reduction of 3,3'-diamino-4,4'-dinitrobiphenyl and treating with an alkali COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-12-28 US claimed
WO-2004033079-A2 PROTON CONDUCTING POLYMER MEMBRANE COMPRISING PHOSHPHONIC ACID GROUPS CONTAINING POLYAZOLES AND THE USE THEREOF IN FUEL CELLS PEMEAS GMBH (DE) 2004-04-22 WO claimed
EP-1054031-A2 Increasing the molecular weight and modification of condensation polymers Ciba SC Holding AG (CH) 2000-11-22 EP claimed
EP-0538850-B1 New polyurea resins and their preparation and use IHARA CHEMICAL IND CO (JP) 1997-01-22 EP claimed
US-5387725-A Chlorinating compounds having acidic protons with a perchloro-alkane and aqueous base in the presence of a tetraalkyl-ammonium hydroxide phase transfer catalyst THE DOW CHEMICAL COMPANY (US) 1995-02-07 US claimed
WO-1994012465-A1 POLYAMIDES AND POLYPYRROLONES FOR FLUID SEPARATION MEMBRANES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-06-09 WO claimed
US-5319058-A Improved heat resistance when polyisocyanate component is a combination of an aliphatic diisocyanate and a cyclic trimer of an aliphatic polyisocyanate IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-07 US claimed
EP-0538850-A2 New polyurea resins and their preparation and use IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-04-28 EP claimed
EP-0047069-A1 Resin derived from acenaphthene and process for its production Coal Industry (Patents) Limited (GB) 1982-03-10 EP claimed