SCHEMBL9250408

SCHEMBL9250408

COC(=O)CCc1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
TMPRSS15 P98073 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
PLAU P00749 2/20 0.35
PDGFRB P09619 2/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
MAP3K11 Q16584 1/20 0.35
S1PR1 P21453 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL9255039 0.91 S1PR1 (0.43) MAPTL3MBTL1KMT2AMEN1GAA
SCHEMBL9253817 0.89 TMPRSS15 (0.38) TMPRSS15ITGB3ITGA2BCCNCCDK8
SCHEMBL9251429 0.89 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BCCNCCDK8
SCHEMBL9568476 0.86 TMPRSS15 (0.34) MAPTKMT2AMEN1TMPRSS15ADORA3
SCHEMBL9254513 0.86 CHEK1 (0.40) CHEK1L3MBTL1KMT2AMEN1GAA
SCHEMBL9252190 0.84 F10 (0.37) TMPRSS15ITGB3ITGA2BPLAUCCNC
SCHEMBL9568559 0.84 F2 (0.41) TMPRSS15ITGB3ITGA2B
SCHEMBL9257084 0.84 F2 (0.41) TMPRSS15ITGB3ITGA2B
SCHEMBL9258704 0.83 HDAC1 (0.40) MAPTITGB3ITGA2B
Hydrochloric Acid SCHEMBL9254356 0.83 F2 (0.40) TMPRSS15ITGB3ITGA2B

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