SCHEMBL9251097

SCHEMBL9251097

COC(=O)CCNC(=O)c1ncc2c(n1)nc(-c1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 7/20 0.40
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
F10 P00742 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KLK5 Q9Y337 1/20 0.34
NAMPT P43490 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL9248894 0.91 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL9251312 0.85 TMPRSS15 (0.40) TMPRSS15ITGB3ITGA2BF10MAPT
SCHEMBL9251162 0.83 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BF10MAPT
SCHEMBL9256102 0.83 ITGB3 (0.37) TMPRSS15ITGB3ITGA2BF10MAPT
SCHEMBL9253863 0.83 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10MAPT
SCHEMBL9571166 0.83 HDAC1 (0.40) TMPRSS15ITGB3ITGA2BF10MAPT
SCHEMBL9255926 0.81 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10MAPT
SCHEMBL8863519 0.80 HDAC1 (0.52) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9254880 0.80 CHEK2 (0.49) TMPRSS15ITGB3ITGA2BF10MAPT
Hydrochloric Acid SCHEMBL9255053 0.79 HDAC1 (0.51) 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