SCHEMBL7718442

SCHEMBL7718442

N=C(N)c1ccc(-c2cc(COc3cccc(C(=N)N)c3)cc(OCC(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.60
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
ITGB3 P05106 3/20 0.53
ITGA2B P08514 3/20 0.53
F10 P00742 4/20 0.51
NR4A2 P43354 1/20 0.48

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
SCHEMBL7718664 0.92 F2 (0.65) F2PPARGPPARDITGB3ITGA2B
SCHEMBL7718505 0.89 F2 (0.61) F2PPARGPPARDITGB3ITGA2B
SCHEMBL7714073 0.89 F2 (0.56) F2F10
SCHEMBL7453797 0.83 F2 (0.67) F2F10
SCHEMBL7120282 0.82 PRSS1 (0.66) F2ITGB3ITGA2BF10
SCHEMBL7448763 0.81 F2 (0.85) F2F10
SCHEMBL7719450 0.81 F2 (0.61) F2F10NR4A2
SCHEMBL7454072 0.80 F2 (0.66) F2F10NR4A2
SCHEMBL7450280 0.80 F2 (0.87) F2F10NR4A2
SCHEMBL7454069 0.78 F2 (0.70) F2F10NR4A2

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
US-6380430-B1 ANTICOAGULANTS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTERHAFTUNG (DE) 2002-04-30 US disclosed