SCHEMBL8026767

SCHEMBL8026767

CCOC(=O)CCN(c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.62
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
ACSL1 P33121 1/20 0.38
NQO2 P16083 1/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
BRPF1 P55201 1/20 0.35

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 0.93 F2 (0.64) F2FNTAFNTBPGGT1BACSL1
SCHEMBL6634298 0.92 F2 (0.61) F2FNTAFNTBPGGT1BNQO2
Hydrochloric Acid SCHEMBL8028406 0.88 F2 (0.78) F2NQO2
SCHEMBL8031785 0.87 F2 (0.66) F2FNTAFNTBPGGT1BACSL1
SCHEMBL8026560 0.87 F2 (0.62) F2FNTAFNTBPGGT1BACSL1
SCHEMBL6638786 0.87 F2 (0.65) F2FNTAFNTBPGGT1BGAA
SCHEMBL8032253 0.86 F2 (0.50) F2FNTAFNTBPGGT1BGAA
SCHEMBL8016063 0.86 F2 (0.64) F2FNTAFNTBPGGT1BACSL1
SCHEMBL6634947 0.85 F2 (0.54) F2FNTAFNTBPGGT1BNQO2
SCHEMBL6639246 0.85 F2 (0.67) F2FNTAFNTBPGGT1BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed