SCHEMBL304892

SCHEMBL304892

Cc1cc(F)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TRPV4 Q9HBA0 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HSP90AB1 P08238 4/20 0.40
CYP11B2 P19099 3/20 0.40
CYP11B1 P15538 2/20 0.40
SLC22A12 Q96S37 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
AR P10275 4/20 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
Methylene Chloride SCHEMBL28217558 0.92 TSHR (0.42) TSHRTRPV4MAOAMAOBHSP90AB1
SCHEMBL28285107 0.84 PGR (0.36) TSHRMAOAMAOBHSP90AB1CYP11B2
SCHEMBL12496594 0.84 CYP11B1 (0.54) TSHRCYP11B2CYP11B1KDM4EMEN1
SCHEMBL101523 0.82 TSHR (0.48) TSHRTRPV4MAOAMAOBHSP90AB1
SCHEMBL30283688 0.82 TSHR (0.48) TSHRTRPV4MAOAMAOBHSP90AB1
SCHEMBL4377219 0.79 AR (0.53) SLC22A12KDM4EMEN1ALDH1A1HPGD
SCHEMBL573864 0.78 MAOB (0.53) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL18105623 0.78 ALDH1A1 (0.40) TSHRTRPV4MAOAMAOBCYP11B2
SCHEMBL8404532 0.78 CYP1A2 (0.42) TSHRHSP90AB1KDM4EMEN1ALDH1A1
SCHEMBL8404529 0.78 CYP1A2 (0.42) TSHRHSP90AB1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409595-A Synthesis method of 2-cyano-5-fluorobenzyl bromide 西安宇特邦医药科技有限公司 2025-02-11 CN claimed
CN-117902967-B Synthesis method of m-phenoxy benzaldehyde 江苏格涞思工业科技集团有限公司 2024-10-22 CN claimed
CN-117613388-B Electrolyte and sodium ion battery 湖州超钠新能源科技有限公司 2024-05-07 CN claimed
CN-117902967-A Synthesis method of m-phenoxy benzaldehyde 江苏格涞思工业科技集团有限公司 2024-04-19 CN claimed
CN-117613388-A Electrolyte and sodium ion battery 湖州超钠新能源科技有限公司 2024-02-27 CN claimed
CN-117050922-B Fluorine-containing benzonitrile compound degrading bacterium and application thereof in environmental treatment 江苏聚庚科技股份有限公司 2023-12-08 CN claimed
CN-117050922-A Fluorine-containing benzonitrile compound degrading bacterium and application thereof in environmental treatment 江苏聚庚科技股份有限公司 2023-11-14 CN claimed
EP-3339287-B1 NEW TYPE OF ANTIVIRAL COMPOUND INST MED BIOTECHNOLOGY CAMS (CN) 2020-07-01 EP claimed
CN-109734673-A A kind of purification process of compound 浙江华贝药业有限责任公司 2019-05-10 CN claimed
CN-109705089-A The purification process of compound 浙江华贝药业有限责任公司 2019-05-03 CN claimed
EP-3339287-A1 NEW TYPE OF ANTIVIRAL COMPOUND Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2018-06-27 EP claimed
CN-106818844-A A kind of herbicide 安徽东健化工科技有限公司 2017-06-13 CN claimed
CN-106749175-A The purification process of one koji Ge Lieting 郑州明泽医药科技有限公司 2017-05-31 CN claimed
CN-106467501-A Novel antivirus compound 中国医学科学院医药生物技术研究所 2017-03-01 CN claimed
CN-105541793-A Synthetic method of trelagliptin, trelagliptin synthesized through method and trelagliptin synthesis intermediate HEBEI GUOLONG PHARMACEUTICAL CO LTD 2016-05-04 CN claimed
WO-2016024224-A1 A PROCESS FOR THE PREPARATION OF 4-FLUORO-2-METHYLBENZONITRILE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-02-18 WO claimed
CN-104402832-A Preparation method of dihydropyrimidine derivative GUANGDONG HEC PHARMACEUTICAL 2015-03-11 CN claimed
CN-1221407-A Aminoisoquinolines and aminothienopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMA PROD (GB) 1999-06-30 CN claimed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP claimed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO claimed