SCHEMBL9254513

SCHEMBL9254513

COC(=O)CCc1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
TMPRSS15 P98073 3/20 0.35
TXNRD1 Q16881 1/20 0.35
PRSS1 P07477 8/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
ERN1 O75460 1/20 0.34
GRK6 P43250 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
SCHEMBL9254911 0.89 F7 (0.37) PRSS1ITGB3ITGA2BGRK6NQO2
SCHEMBL9251429 0.87 TMPRSS15 (0.36) TMPRSS15PRSS1ITGB3ITGA2B
SCHEMBL9253817 0.87 TMPRSS15 (0.38) TMPRSS15PRSS1ITGB3ITGA2B
SCHEMBL9250408 0.86 CHEK1 (0.38) CHEK1TMPRSS15MEN1GAAKMT2A
SCHEMBL9568476 0.84 TMPRSS15 (0.34) TMPRSS15PRSS1MEN1ALDH1A1KMT2A
SCHEMBL9252190 0.82 F10 (0.37) TMPRSS15PRSS1ITGB3ITGA2B
SCHEMBL9568559 0.81 F2 (0.41) TMPRSS15PRSS1ITGB3ITGA2B
SCHEMBL9257084 0.81 F2 (0.41) TMPRSS15PRSS1ITGB3ITGA2B
SCHEMBL9258704 0.81 HDAC1 (0.40) PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9254356 0.81 F2 (0.40) TMPRSS15PRSS1ITGB3ITGA2B

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