SCHEMBL6563598

SCHEMBL6563598

CC(C)N(CC(=O)O)C(=O)Nc1cc(C(F)(F)F)c(C#CCNc2ccc(C(=N)N)cc2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 7/20 0.38
F2 P00734 5/20 0.35
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
AR P10275 1/20 0.32
PLAU P00749 1/20 0.32
PRSS1 P07477 2/20 0.31

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
SCHEMBL6563746 0.94 F7 (0.37) F7F2ITGB3ITGA2BNPC1
SCHEMBL6565306 0.90 F7 (0.39) F7F2ITGB3ITGA2BAR
SCHEMBL6565445 0.90 ITGB3 (0.36) F7F2ITGB3ITGA2BNPC1
SCHEMBL6563559 0.84 ITGB3 (0.36) F7F2ITGB3ITGA2BNPC1
SCHEMBL4250062 0.83 ITGB3 (0.36) F7F2ITGB3ITGA2BPLAU
SCHEMBL7674138 0.82 PLAU (0.34) F7F2ITGB3ITGA2BPLAU
SCHEMBL6565998 0.81 ITGB3 (0.37) F7F2ITGB3ITGA2BPLAU
SCHEMBL7678059 0.81 F7 (0.35) F7F2ITGB3ITGA2BPLAU
SCHEMBL6565368 0.80 ITGB3 (0.37) F7F2ITGB3ITGA2BHTT
SCHEMBL6565929 0.79 F7 (0.39) F7F2ITGB3ITGA2BPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed