SCHEMBL9251312

SCHEMBL9251312

COC(=O)CCNC(=O)c1ncc2nc(-c3ccc(C(=N)N)cc3)n(C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 7/20 0.40
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
NAMPT P43490 1/20 0.35
F10 P00742 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL9254738 0.91 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL9251097 0.85 TMPRSS15 (0.40) TMPRSS15ITGB3ITGA2BNAMPTF10
SCHEMBL9249665 0.85 TMPRSS15 (0.42) TMPRSS15ITGB3ITGA2BNAMPTF10
SCHEMBL9571132 0.83 ITGB3 (0.36) TMPRSS15ITGB3ITGA2BF10KDM5B
SCHEMBL9252066 0.83 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BF10KDM5B
SCHEMBL9246322 0.83 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10KDM5B
SCHEMBL9253812 0.83 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10MAPT
SCHEMBL9255320 0.81 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10KDM5B
SCHEMBL9571166 0.81 HDAC1 (0.40) TMPRSS15ITGB3ITGA2BNAMPTF10
SCHEMBL8863519 0.80 HDAC1 (0.52) TMPRSS15ITGB3ITGA2BNAMPTMAPT

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