SCHEMBL9255320

SCHEMBL9255320

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 6/20 0.35
ITGB3 P05106 10/20 0.34
ITGA2B P08514 10/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F10 P00742 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL9247579 0.91 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL9246322 0.89 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9252066 0.88 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9571132 0.88 ITGB3 (0.36) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9253812 0.88 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9255926 0.86 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9252502 0.83 TMPRSS15 (0.37) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9251108 0.82 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL9251312 0.81 TMPRSS15 (0.40) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9254859 0.80 ITGB3 (0.42) ITGB3ITGA2BF10

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