SCHEMBL9254810

SCHEMBL9254810

Cn1c(-c2ccc(C(=N)N)cc2)nc2ccc(NCC3CCC(C(=O)O)CC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCP P55072 13/20 0.41
SYK P43405 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
HSD11B1 P28845 1/20 0.38
PIM1 P11309 1/20 0.38
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL9249034 0.91 TMPRSS15 (0.40) VCPPIM1
SCHEMBL9252818 0.86 ADORA3 (0.41) SYKITGB3ITGA2BHSD11B1
SCHEMBL9251663 0.82 TMPRSS15 (0.39) ITGB3ITGA2B
SCHEMBL9256431 0.81 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL9251783 0.78 TMPRSS15 (0.45) ITGB3ITGA2B
SCHEMBL9255137 0.77 TMPRSS15 (0.41) ITGB3ITGA2B
SCHEMBL9251669 0.74 TMPRSS15 (0.39) ITGB3ITGA2B
SCHEMBL9253758 0.72 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL9251738 0.72 PADI4 (0.43) ITGB3ITGA2B
SCHEMBL9249043 0.70 TMPRSS15 (0.40) 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