SCHEMBL82538

SCHEMBL82538

Cc1nc(Cc2ccccc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CALM1 P0DP23 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
NPC1 O15118 2/20 0.39
BRD4 O60885 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPK1 P28482 1/20 0.38

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
Water SCHEMBL10981448 0.98 TAAR1 (0.42) TAAR1ADORA2AADORA1CALM1ALDH1A1
Fluoride SCHEMBL28059937 0.96 TAAR1 (0.41) TAAR1ADORA2AADORA1CALM1ALDH1A1
SCHEMBL28094600 0.87 TAAR1 (0.53) TAAR1ADORA2AADORA1ALDH1A1POLB
SCHEMBL10795179 0.85 ALDH1A1 (0.46) ALDH1A1POLBRAB9ASMN1; SMN2TDP1
SCHEMBL11091944 0.83 KCNH2 (0.52) TAAR1ALDH1A1HPGDRAB9ANPC1
SCHEMBL1723556 0.82 TAAR1 (0.48) TAAR1ADORA2AADORA1CALM1ALDH1A1
SCHEMBL10791891 0.82 DAO (0.42) TAAR1RAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL16020932 0.81 MAPT (0.38) TAAR1ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL13611413 0.81 HRH3 (0.42) TAAR1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3840210 0.81 HSP90AB1 (0.45) RAB9ASMN1; SMN2TDP1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605616-A Quick-drying nonionic waterborne epoxy curing agent and preparation method and application thereof 万华化学集团股份有限公司 2022-06-10 CN claimed
EP-3109268-B1 METHOD FOR MANUFACTURING OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2022-03-30 EP claimed
EP-3833723-A1 TWO-COMPONENT ADHESIVE COMPOSITION BASED ON EPOXIDE RESIN Illinois Tool Works, Inc. (US) 2021-06-16 EP claimed
WO-2020219852-A1 PHENOLIC FUNCTIONALIZED POLYIMIDES AND COMPOSITIONS THEREOF DESIGNER MOLECULES, INC. (US) 2020-10-29 WO claimed
WO-2020033258-A1 TWO-COMPONENT ADHESIVE COMPOSITION BASED ON EPOXIDE RESIN ILLINOIS TOOL WORKS INC. (US) 2020-02-13 WO claimed
EP-3548574-A1 ABRASION RESISTANT COATING COMPOSITION WITH INORGANIC METAL OXIDES Momentive Performance Materials Inc. (US) 2019-10-09 EP claimed
CN-105992781-B The manufacturing method of optical material 三井化学株式会社 2019-09-24 CN claimed
CN-104755520-B Polymerizable composition, polymerizable composition, optical material and its manufacturing method 三井化学株式会社 2018-10-09 CN claimed
CN-108410134-A A kind of fibrous composite composition epoxy resin and its application 苏州银禧新能源复合材料有限公司 2018-08-17 CN claimed
EP-3353236-A2 COMPOSITE PANEL MATERIAL Cytec Industrial Materials (Derby) Limited (GB) 2018-08-01 EP claimed
WO-2000079582-A1 CONTROLLABLY DEGRADABLE COMPOSITION OF HETEROATOM CARBOCYCLIC OR EPOXY RESIN AND CURING AGENT LOCTITE CORPORATION (US) 2000-12-28 WO claimed
WO-2000056799-A1 REWORKABLE THERMOSETTING RESIN COMPOSITIONS LOCTITE CORPORATION (US) 2000-09-28 WO claimed
EP-0929592-A4 THERMOSETTING RESIN COMPOSITIONS USEFUL AS UNDERFILL SEALANTS LOCTITE CORP (US) 2000-09-13 EP claimed
EP-0929592-A1 THERMOSETTING RESIN COMPOSITIONS USEFUL AS UNDERFILL SEALANTS LOCTITE CORPORATION (US) 1999-07-21 EP claimed
WO-1999035187-A1 REWORKABLE EPOXY UNDERFILL ENCAPSULANTS GEORGIA TECH RESEARCH CORPORATION (US) 1999-07-15 WO claimed
WO-1999005196-A1 THERMOSETTING RESIN COMPOSITIONS USEFUL AS UNDERFILL SEALANTS LOCTITE CORPORATION (US) 1999-02-04 WO claimed
US-5690726-A ADDING A LEWIS BASE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1997-11-25 US claimed
WO-1991004999-A1 TWO-PACK CURABLE EPOXY RESIN COMPOSITION COOKSON GROUP PLC (GB) 1991-04-18 WO claimed
US-4906711-A Low viscosity epoxy resin compositions GENERAL ELECTRIC COMPANY (US) 1990-03-06 US claimed
EP-0353103-A2 Low viscosity epoxy resin compositions GENERAL ELECTRIC COMPANY (US) 1990-01-31 EP claimed