SCHEMBL8949326

SCHEMBL8949326

CC(=O)N(CCNC(=O)c1ncc(-c2ccc(C(=N)N)cc2)cn1)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.39
NQO2 P16083 2/20 0.36
PRSS1 P07477 2/20 0.36
TMPRSS15 P98073 4/20 0.36
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
CD274 Q9NZQ7 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
Hydrochloric Acid SCHEMBL8949245 0.89 TMPRSS15 (0.38) F10NQO2PRSS1TMPRSS15CD274
SCHEMBL8949352 0.79 ITGB3 (0.50) F10ITGB3ITGA2B
SCHEMBL8949087 0.78 ITGB3 (0.55) F10ITGB3ITGA2B
SCHEMBL8949379 0.75 HPGD (0.38) F10NQO2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949145 0.73 ALDH1A1 (0.46) F10PRSS1TMPRSS15ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949026 0.72 TMPRSS15 (0.45) F10PRSS1TMPRSS15ITGB3ITGA2B
SCHEMBL8948975 0.68 ITGB3 (0.50) NQO2TMPRSS15ITGB3ITGA2B
SCHEMBL14369773 0.68 WDR5 (0.50) NQO2PRSS1
SCHEMBL8886097 0.67 PRSS1 (0.49) F10PRSS1TMPRSS15ITGB3ITGA2B
SCHEMBL8975393 0.66 WDR5 (0.55) NQO2PRSS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed