SCHEMBL9252818

SCHEMBL9252818

Cn1c(-c2ccc(C(=N)N)cc2)nc2ccc(NC3CCC(C(=O)O)CC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
ITGB3 P05106 9/20 0.41
ITGA2B P08514 9/20 0.41
SYK P43405 1/20 0.38
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
TMPRSS15 P98073 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CHEK2 O96017 1/20 0.36
HCAR3 P49019 1/20 0.36
HSD11B1 P28845 1/20 0.35
NQO2 P16083 1/20 0.35
MAP4K4 O95819 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
SCHEMBL9255137 0.91 TMPRSS15 (0.41) ADORA3ADORA1ITGB3ITGA2BTMPRSS15
SCHEMBL9254810 0.86 VCP (0.41) ITGB3ITGA2BSYKHSD11B1
SCHEMBL9251783 0.80 TMPRSS15 (0.45) ITGB3ITGA2BTMPRSS15PRSS1PRSS2
SCHEMBL9256431 0.78 ITGB3 (0.38) ITGB3ITGA2BTMPRSS15PRSS1PRSS2
SCHEMBL9249034 0.77 TMPRSS15 (0.40) KCNH2TMPRSS15PRSS1PRSS2PRSS3
SCHEMBL9251663 0.76 TMPRSS15 (0.39) ITGB3ITGA2BTMPRSS15PRSS1PRSS2
SCHEMBL8949083 0.74 ITGB3 (0.43) ITGB3ITGA2BDGAT1KCNH2PRSS1
SCHEMBL8949075 0.74 ITGB3 (0.43) ITGB3ITGA2BDGAT1KCNH2PRSS1
SCHEMBL9249043 0.72 TMPRSS15 (0.40) ADORA3ADORA1ITGB3ITGA2BTMPRSS15
SCHEMBL9253758 0.70 ITGB3 (0.47) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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