SCHEMBL2575205

SCHEMBL2575205

N#Cc1ccccc1-c1ccc(CCBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
FFAR1 O14842 2/20 0.51
AKR1B1 P15121 1/20 0.51
PPARG P37231 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
PTPN5 P54829 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PRKAG1 P54619 3/20 0.42
PRKAA1 Q13131 3/20 0.42
PRKAB1 Q9Y478 3/20 0.42
ACHE P22303 2/20 0.42
MME P08473 1/20 0.42
CNR2 P34972 1/20 0.42
BRS3 P32247 1/20 0.40
TRPA1 O75762 1/20 0.40
PTGES O14684 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 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
SCHEMBL6960970 0.90 ESR2 (0.53) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL6957029 0.89 ESR2 (0.51) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL6961643 0.87 ESR2 (0.50) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL357 0.86 ESR2 (0.59) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL31772593 0.86 ESR2 (0.59) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL6949108 0.84 ESR2 (0.62) ESR2FFAR1AKR1B1PPARGTDP1
SCHEMBL6957120 0.83 MAOB (0.57) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL6961928 0.83 PPARG (0.59) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL6957117 0.81 ESR2 (0.59) ESR2FFAR1AKR1B1PPARGPTPN5
SCHEMBL1713 0.80 ESR2 (0.67) ESR2FFAR1AKR1B1PPARGPTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497300-C Production method of aminobenzene compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2009-06-10 CN claimed
CN-1203223-A Production method of aminobenzene compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-30 CN claimed
CN-105669558-A Benzyl-1H-pyrazole and benzyl-1H-pyrazole derivatives, and preparation method and application thereof 四川大学 2016-06-15 CN disclosed
CN-103086993-B Method for crystallizing valsartan SECOND PHARMA CO LTD 2015-05-06 CN disclosed
CN-104334528-A (2-heteroarylamino) succinic acid derivatives DAIICHI SANKYO CO LTD 2015-02-04 CN disclosed
CN-104321318-A 4-alkanoylamino-3-pyrazolone derivative DAIICHI SANKYO CO LTD 2015-01-28 CN disclosed
CN-102417486-B Method for synthesizing valsartan UNIV HEFEI TECHNOLOGY 2013-11-27 CN disclosed
CN-103086993-A Method for crystallizing valsartan ZHEJIANG SECOND PHARMACEUTICAL CO LTD 2013-05-08 CN disclosed
CN-102911128-A Synthetic method of valsartan SUZHOU TIANLV BIO PHARMACEUTICAL CO LTD 2013-02-06 CN disclosed
CN-102791678-A Process for the preparation of 4-bromomethyl-[1,1'-biphenyl]-2'-carbonitrile SANOFI AVENTIS 2012-11-21 CN disclosed
CN-102417486-A Synthesis method of valsartan UNIV HEFEI TECHNOLOGY 2012-04-18 CN disclosed
CN-101657442-A Improved process for preparing irbesartan ACTAVIS GROUP PTC EHF IS 2010-02-24 CN disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
CN-1039714-C Substituted indole, azaindole and tetrahydro-1H-pyrrol pyrrolo [2,3-c] pyridin-7-one derivatives SYTEX U S A INC (US) 1998-09-09 CN disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
CN-1109057-A Imidazopyridazine MERCK PATENT GMBH (DE) 1995-09-27 CN disclosed
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed