SCHEMBL671326

SCHEMBL671326

Nc1c(Cl)ccc(C(=O)O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 5/20 0.47
TP53 P04637 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.41
G6PD P11413 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
GAA P10253 1/20 0.41
ESR2 Q92731 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL18980394 0.84 ALDH1A1 (0.48) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL3667246 0.83 TSHR (0.52) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL29443033 0.83 CYP3A4 (0.48) TSHRALDH1A1CASP1SMN1; SMN2KDM4E
SCHEMBL22905001 0.83 CYP3A4 (0.48) TSHRALDH1A1CASP1SMN1; SMN2KDM4E
SCHEMBL671422 0.83 KMT2A (0.52) TSHRALDH1A1TP53KDM4EMAPT
SCHEMBL21582021 0.82 TSHR (0.52) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL10316048 0.81 ALDH1A1 (0.49) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL432644 0.79 TSHR (0.64) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL29886586 0.79 TSHR (0.64) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL670962 0.79 ALDH1A1 (0.44) TSHRALDH1A1TP53CASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330137-B1 Intermediate compounds for the preparation of 1,2,4-triazolo [1,5-a]pyrimidine-2-sulfonamides DOWELANCO (US) 1994-03-02 EP claimed
US-3931300-A Process for the production of dichlorobenzoic acids BASF AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed
JP-11292849-A None JP disclosed
CN-103097359-B Compounds as microsomal prostaglandin E2 synthase-1 inhibitors 贝林格尔.英格海姆国际有限公司 2016-08-17 CN disclosed
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2606036-B1 2-ANILINOBENZIMIDAZOLE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
EP-2606036-B1 2-ANILINOBENZIMIDAZOLE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
US-8759537-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
JP-H11292849-A BENZOYLPYRAZOLE COMPOUND AND HERBICIDE NIPPON SODA CO LTD 1999-10-26 JP disclosed
US-4948887-A FOR UPLAND FIELDS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-08-14 US disclosed
US-4543426-A Herbicidal compounds GAF CORPORATION (US) 1985-09-24 US disclosed
US-4197111-A 1,8-Naphthalimides and herbicide antidotes STAUFFER CHEMICAL COMPANY (US) 1980-04-08 US disclosed