SCHEMBL9258085

SCHEMBL9258085

COC(=O)CCc1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 11/20 0.39
NQO2 P16083 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PLG P00747 2/20 0.32
PLAU P00749 2/20 0.32

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
SCHEMBL9258365 0.87 NQO2 (0.38) TMPRSS15NQO2ITGB3ITGA2BMAPK1
SCHEMBL9568559 0.86 F2 (0.41) TMPRSS15ITGB3ITGA2BF2F10
SCHEMBL9257084 0.86 F2 (0.41) TMPRSS15ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL9254356 0.85 F2 (0.40) TMPRSS15ITGB3ITGA2BF2F10
SCHEMBL8863950 0.82 TMPRSS15 (0.37) TMPRSS15NQO2ITGB3ITGA2BMAPT
SCHEMBL9253817 0.82 TMPRSS15 (0.38) TMPRSS15ITGB3ITGA2BF2F10
SCHEMBL9251429 0.82 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BF2F10
SCHEMBL9250408 0.81 CHEK1 (0.38) TMPRSS15ITGB3ITGA2BMAPTPLAU
SCHEMBL9252726 0.81 TMPRSS15 (0.38) TMPRSS15NQO2ITGB3ITGA2BMAPT
SCHEMBL9254303 0.80 TMPRSS15 (0.43) TMPRSS15ITGB3ITGA2BPOLBF2

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-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