SCHEMBL7430469

SCHEMBL7430469

COC(=O)CN(c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)c(=O)n2C)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.54
TP53 P04637 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
BRPF1 P55201 1/20 0.38
F10 P00742 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FABP1 P07148 1/20 0.36
MAPT P10636 1/20 0.36
PLG P00747 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 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
SCHEMBL7981133 0.93 F2 (0.53) F2TP53FNTAFNTBPGGT1B
SCHEMBL8031785 0.91 F2 (0.66) F2TP53FNTAFNTBPGGT1B
SCHEMBL7430218 0.88 F2 (0.71) F2F10PLG
Hydrochloric Acid SCHEMBL7433344 0.88 F2 (0.70) F2F10PLG
SCHEMBL6635152 0.87 F2 (0.66) F2TP53FNTAFNTBPGGT1B
SCHEMBL6636359 0.86 F2 (0.53) F2TP53FNTAFNTBPGGT1B
SCHEMBL7978348 0.86 F2 (0.53) F2TP53FNTAFNTBPGGT1B
SCHEMBL8101459 0.85 F2 (0.68) F2TP53FNTAFNTBPGGT1B
SCHEMBL6634143 0.84 F2 (0.56) F2TP53FNTAFNTBPGGT1B
SCHEMBL7981331 0.84 F2 (0.52) F2TP53PKMHSD17B10ALDH1A1

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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed