SCHEMBL9252486

SCHEMBL9252486

Cn1c(-c2ccc(C(=N)N)cc2)nc2cc(C(=O)NCCC(=O)O)cnc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.43
ITGA2B P08514 14/20 0.43
NAMPT P43490 1/20 0.40
F10 P00742 1/20 0.40
F2 P00734 2/20 0.40
ITGB2 P05107 1/20 0.39
ITGAM P11215 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
Bromide SCHEMBL9254604 0.99 ITGB3 (0.43) ITGB3ITGA2BNAMPTF10F2
SCHEMBL9249665 0.91 TMPRSS15 (0.42) ITGB3ITGA2BNAMPTF10F2
SCHEMBL9248776 0.87 NAMPT (0.41) ITGB3NAMPTHDAC1HDAC8HDAC6
SCHEMBL9249490 0.85 HDAC1 (0.56) ITGB3ITGA2BNAMPTF10F2
SCHEMBL9254738 0.85 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9252708 0.83 CHEK2 (0.51) ITGB3ITGA2BF10F2HDAC1
SCHEMBL9254049 0.82 ITGB3 (0.43) ITGB3ITGA2BF2
SCHEMBL9252571 0.82 ITGB3 (0.45) ITGB3ITGA2BNAMPTF10F2
SCHEMBL9249572 0.80 ITGB3 (0.56) ITGB3ITGA2BNAMPTF2HDAC1
SCHEMBL9247795 0.79 ITGB3 (0.44) ITGB3ITGA2BF2HDAC1HDAC8

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-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP claimed
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed