SCHEMBL9568476

SCHEMBL9568476

COC(=O)CCc1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1NC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 6/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
ADORA3 P0DMS8 5/20 0.34
F10 P00742 4/20 0.34
HDAC1 Q13547 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
F2 P00734 3/20 0.33
PRSS1 P07477 2/20 0.33
PLAU P00749 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 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
SCHEMBL9258892 0.91 ITGB3 (0.39) ITGB3ITGA2BADORA3F10KDM4E
SCHEMBL9258704 0.90 HDAC1 (0.40) ITGB3ITGA2BF10HDAC1F2
SCHEMBL9252190 0.88 F10 (0.37) TMPRSS15ITGB3ITGA2BF10CCNC
SCHEMBL9253817 0.87 TMPRSS15 (0.38) TMPRSS15ITGB3ITGA2BF10CCNC
SCHEMBL9251429 0.87 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BF10HDAC1
SCHEMBL9250408 0.86 CHEK1 (0.38) TMPRSS15ITGB3ITGA2BADORA3CCNC
SCHEMBL9254513 0.84 CHEK1 (0.40) TMPRSS15ITGB3ITGA2BPRSS1MEN1
SCHEMBL9257084 0.81 F2 (0.41) TMPRSS15ITGB3ITGA2BF10HDAC1
SCHEMBL9568559 0.81 F2 (0.41) TMPRSS15ITGB3ITGA2BF10HDAC1
Hydrochloric Acid SCHEMBL9254356 0.81 F2 (0.40) TMPRSS15ITGB3ITGA2BF10HDAC1

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 1 patent. 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 disclosed