SCHEMBL9568477

SCHEMBL9568477

COC(=O)CN(C)c1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 5/20 0.38
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
NQO2 P16083 1/20 0.34
F10 P00742 3/20 0.33
PARP1 P09874 1/20 0.33
F2 P00734 3/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
PLG P00747 2/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL9259667 0.88 ITGB3 (0.39) ITGB3ITGA2BNQO2PLAU
SCHEMBL9257715 0.88 NQO2 (0.35) TMPRSS15ITGB3ITGA2BNQO2F10
SCHEMBL9253478 0.81 KLK1 (0.38) ITGB3ITGA2BNQO2F10F2
SCHEMBL9257084 0.81 F2 (0.41) TMPRSS15ITGB3ITGA2BF10F2
SCHEMBL9568559 0.81 F2 (0.41) TMPRSS15ITGB3ITGA2BF10F2
Hydrochloric Acid SCHEMBL9254356 0.80 F2 (0.40) TMPRSS15ITGB3ITGA2BF10F2
SCHEMBL9259308 0.80 L3MBTL1 (0.36) ITGB3ITGA2BNQO2
SCHEMBL9254303 0.79 TMPRSS15 (0.43) TMPRSS15ITGB3ITGA2BF2PRSS1
SCHEMBL9257749 0.79 PHGDH (0.37) ITGB3ITGA2BNQO2PLGPLAU
SCHEMBL9256770 0.78 ITGB3 (0.35) TMPRSS15ITGB3ITGA2BNQO2F10

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