SCHEMBL9251548

SCHEMBL9251548

COC(=O)CN(C(C)=O)c1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F2 P00734 5/20 0.32
F10 P00742 4/20 0.32
TMPRSS15 P98073 4/20 0.32
PRSS1 P07477 3/20 0.32
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
F7 P08709 1/20 0.31
NQO2 P16083 2/20 0.31
MEN1 O00255 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL9253931 0.90 ITGB3 (0.35) ITGB3ITGA2BF2TMPRSS15PRSS1
SCHEMBL9251411 0.89 ADORA2A (0.38) ADORA2AADORA2BADORA1ITGB3ITGA2B
SCHEMBL9257715 0.85 NQO2 (0.35) ADORA2AADORA2BADORA1ITGB3ITGA2B
SCHEMBL9250815 0.79 F2 (0.37) ADORA2AADORA2BADORA1ITGB3ITGA2B
SCHEMBL9568477 0.77 TMPRSS15 (0.38) ITGB3ITGA2BF2F10TMPRSS15
SCHEMBL9250640 0.74 NQO2 (0.39) ITGB3ITGA2BF2NQO2
SCHEMBL9259308 0.74 L3MBTL1 (0.36) ITGB3ITGA2BNQO2
SCHEMBL9253817 0.73 TMPRSS15 (0.38) ITGB3ITGA2BF2F10TMPRSS15
SCHEMBL9251983 0.73 HTT (0.43) ITGB3ITGA2BMEN1
SCHEMBL9251429 0.73 TMPRSS15 (0.36) ITGB3ITGA2BF2F10TMPRSS15

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