SCHEMBL9251783

SCHEMBL9251783

Cn1c(-c2ccc(C(=N)N)cc2)nc2ccc(N3CCC(C(=O)O)CC3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 4/20 0.45
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
PRSS1 P07477 4/20 0.41
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 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
SCHEMBL9253758 0.87 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL9252483 0.83 ITGB3 (0.44) ITGB3ITGA2BCHEK2NQO2
SCHEMBL9251738 0.83 PADI4 (0.43) TMPRSS15ITGB3ITGA2B
SCHEMBL9252818 0.80 ADORA3 (0.41) TMPRSS15ITGB3ITGA2BPRSS1PRSS2
SCHEMBL9255246 0.79 ITGB3 (0.35) ITGB3ITGA2BLMNAHTTKDM4E
SCHEMBL9254810 0.78 VCP (0.41) ITGB3ITGA2B
SCHEMBL9256431 0.78 ITGB3 (0.38) TMPRSS15ITGB3ITGA2BPRSS1PRSS2
SCHEMBL9251234 0.78 ITGB3 (0.46) ITGB3ITGA2BF10NQO2
SCHEMBL9255399 0.76 SCN9A (0.42) TMPRSS15ITGB3ITGA2BF10CHEK2
SCHEMBL9255901 0.74 ITGB3 (0.39) ITGB3ITGA2BPRSS1PRSS2PRSS3

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