SCHEMBL9254531

SCHEMBL9254531

COC(=O)CCc1nnc(-c2ccc(-c3ccc(C(=N)N)cc3)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 7/20 0.43
CSNK2A2 P19784 6/20 0.41
CSNK2A1 P68400 6/20 0.41
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NQO2 P16083 1/20 0.38
CSNK2B P67870 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9255636 0.88 TMPRSS15 (0.39) TMPRSS15F2F10PRSS1ITGB3
SCHEMBL9253124 0.88 F2 (0.45) TMPRSS15CSNK2A2CSNK2A1F2F10
SCHEMBL9257176 0.87 CSNK2A2 (0.43) TMPRSS15CSNK2A2CSNK2A1F2F10
SCHEMBL9250922 0.87 AHR (0.39) TMPRSS15HPGDSMN1; SMN2
SCHEMBL9257116 0.86 CSNK2A2 (0.42) CSNK2A2CSNK2A1HDAC6GAAMAPT
SCHEMBL9257438 0.85 ITGB3 (0.46) TMPRSS15CSNK2A2CSNK2A1F2PRSS1
SCHEMBL9247290 0.84 TMPRSS15 (0.35) TMPRSS15CSNK2A2CSNK2A1F2F10
SCHEMBL9254086 0.81 F2 (0.39) CSNK2A2CSNK2A1F2F10PRSS1
SCHEMBL9256954 0.80 CYP11B1 (0.47) MAPTHPGDSMN1; SMN2
SCHEMBL9257782 0.79 CSNK2A2 (0.39) CSNK2A2CSNK2A1HDAC6GAAMAPT

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-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP claimed
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed