SCHEMBL6638786

SCHEMBL6638786

CCOC(=O)CN(c1ccc2c(c1)nc(CCc1ccc(C#N)cc1)n2C)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.65
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
BRPF1 P55201 1/20 0.35
PDE10A Q9Y233 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
STAT3 P40763 1/20 0.34
PTPRS Q13332 1/20 0.34

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
SCHEMBL8138889 0.94 F2 (0.64) F2FNTAFNTBPGGT1BGAA
SCHEMBL6639498 0.93 F2 (0.56) F2FNTAFNTBPGGT1BGAA
SCHEMBL6635152 0.93 F2 (0.66) F2FNTAFNTBPGGT1BALDH1A1
SCHEMBL6634947 0.91 F2 (0.54) F2FNTAFNTBPGGT1BGAA
SCHEMBL6639246 0.91 F2 (0.67) F2FNTAFNTBPGGT1BGAA
SCHEMBL6642133 0.91 F2 (0.78) F2FNTAFNTBPGGT1BALDH1A1
SCHEMBL6640095 0.91 F2 (0.55) F2FNTAFNTBPGGT1BGAA
SCHEMBL6638848 0.90 F2 (0.52) F2FNTAFNTBPGGT1BGAA
SCHEMBL6635659 0.89 F2 (0.54) F2FNTAFNTBPGGT1BGAA
SCHEMBL6640152 0.88 F2 (0.83) F2GAATSHRALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100795-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2004-06-09 EP disclosed
EP-1100795-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2001-05-23 EP disclosed
US-6121308-A INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE BOEHRINGER INGELHEIM KG (DE) 2000-09-19 US disclosed
WO-2000008014-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-02-17 WO disclosed