SCHEMBL313

SCHEMBL313

Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.66
TSHR P16473 1/20 0.50
PTPN5 P54829 1/20 0.50
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPA1 O75762 1/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GALR3 O60755 1/20 0.45
GAA P10253 1/20 0.45
PPARG P37231 2/20 0.44
LRRK2 Q5S007 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL29799042 1.00 ESR2 (0.66) ESR2TSHRPTPN5ALDH1A1MEN1
SCHEMBL27963955 1.00 ESR2 (0.66) ESR2TSHRPTPN5ALDH1A1MEN1
Bromide SCHEMBL28805556 0.98 ESR2 (0.63) ESR2TSHRPTPN5ALDH1A1MEN1
SCHEMBL22841683 0.88 ESR2 (0.53) ESR2TSHRPTPN5ALDH1A1MEN1
SCHEMBL31410710 0.87 ESR2 (0.76) ESR2TSHRPTPN5ALDH1A1TRPA1
SCHEMBL10533916 0.87 ESR2 (0.51) ESR2TSHRPTPN5ALDH1A1MEN1
SCHEMBL20405268 0.86 ESR2 (0.63) ESR2TSHRPTPN5ALDH1A1TRPA1
SCHEMBL2016996 0.83 ESR2 (0.70) ESR2TSHRPTPN5ALDH1A1TRPA1
SCHEMBL23624588 0.82 ESR2 (0.46) ESR2TSHRALDH1A1MAPTHPGD
SCHEMBL18406711 0.82 ESR2 (0.46) ESR2TSHRALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436833-B Preparation method of telmisartan key intermediate 4' -bromomethyl biphenyl-2-carboxylate 南京红太阳医药研究院有限公司 2024-12-24 CN claimed
CN-118956301-A Electrolytic adhesive containing stable polymer and preparation method thereof 浙江中特化工有限公司 2024-11-15 CN claimed
CN-118510512-A Novel process for the preparation of 4'- (bromomethyl) [1,1' -biphenyl ] -2-carbonitrile 阿尔第实业有限公司 2024-08-16 CN claimed
CN-114733526-B Nickel-supported porous carbon material catalyst and preparation method and application thereof 浙江天宇药业股份有限公司 2024-05-17 CN claimed
CN-114733575-B Palladium-supported molecular sieve catalyst and preparation method and application thereof 浙江天宇药业股份有限公司 2024-04-09 CN claimed
WO-2023157026-A1 A NOVEL PROCESS FOR THE PREPARATION OF 4'-(BROMOMETHYL)[1,1'-BIPHENYL]-2-CARBONITRILE AARTI INDUSTRIES LIMITED (IN) 2023-08-24 WO claimed
CN-114605393-B Method for preparing losartan by micro-channel continuous flow 浙江工业大学 2023-06-27 CN claimed
CN-112661666-B Process for catalytic synthesis of 2-cyano-4' -methyl biphenyl 南京工业大学 2023-04-21 CN claimed
CN-115594589-A 4. A , Preparation method of (E) -methyl biphenyl-2-carboxylic acid methyl ester 济南大学(CN) 2023-01-13 CN claimed
CN-110105242-B Continuous synthesis method of 2-cyano-4' -methyl biphenyl 山东普洛汉兴医药有限公司 2022-11-11 CN claimed
US-5922898-A Process for preparing biaryl compounds CATALYTICA PHARMACEUTICALS, INC. (US) 1999-07-13 US claimed
US-5892094-A Process for preparing 4'-methyl-2-cyanobiphenyl SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-04-06 US claimed
EP-0709369-B1 Method for producing 4'-bromomethyl-2-cyanobiphenyl SUMIKA FINE CHEMICALS CO LTD (JP) 1999-01-13 EP claimed
EP-0853081-A1 Process for preparing 4'-methyl-2-cyanobiphenyl SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-07-15 EP claimed
WO-1998016486-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1998-04-23 WO claimed
WO-1998009941-A1 METHOD FOR PREPARING A CYANOBIPHENYL SANOFI (FR) 1998-03-12 WO claimed
US-5621134-A Method for producing 4'-bromomethyl-2-cyanobiphenyl SUMIKA FINE CHEMICALS CO., LTD. (JP) 1997-04-15 US claimed
EP-0566468-B1 Process for the preparation of a biphenyl derivative SANOFI SA (FR) 1997-01-22 EP claimed
EP-0709369-A1 Method for producing 4'-bromomethyl-2-cyanobiphenyl SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1996-05-01 EP claimed
US-5288895-A Reacting a benzonitrile halide with methylphenylmagnisium halide in the presence of manganous salt, hydrolyzing the forming complexes ELF SANOFI (FR) 1994-02-22 US claimed