SCHEMBL9253812

SCHEMBL9253812

COC(=O)CCNC(=O)c1nc(Cl)c2nc(-c3ccc(C(=N)N)cc3)n(C)c2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 3/20 0.35
F7 P08709 4/20 0.35
F2 P00734 3/20 0.35
F3 P13726 3/20 0.35
ITGB3 P05106 10/20 0.35
ITGA2B P08514 10/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CNR1 P21554 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
SCHEMBL9255713 0.91 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL9571132 0.90 ITGB3 (0.36) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9252066 0.90 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9246322 0.89 TMPRSS15 (0.35) TMPRSS15F2ITGB3ITGA2BMAPT
SCHEMBL9255320 0.88 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9252502 0.85 TMPRSS15 (0.37) TMPRSS15F7F2F3ITGB3
SCHEMBL9251312 0.83 TMPRSS15 (0.40) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9251108 0.82 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL9254859 0.81 ITGB3 (0.42) ITGB3ITGA2BF10
SCHEMBL9571124 0.81 SMN1; SMN2 (0.40) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed