SCHEMBL7718664

SCHEMBL7718664

N=C(N)c1cccc(OCc2cc(OCC(=O)O)cc(-c3cccc(C(=N)N)c3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.65
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
F10 P00742 1/20 0.52
NR4A2 P43354 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
PRSS1 P07477 3/20 0.47
PLG P00747 1/20 0.47
PRSS2 P07478 1/20 0.47
C1S P09871 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL7718442 0.92 F2 (0.60) F2PPARGPPARDF10NR4A2
SCHEMBL7718505 0.92 F2 (0.61) F2PPARGPPARDF10ITGB3
SCHEMBL7719450 0.88 F2 (0.61) F2F10NR4A2PRSS1
SCHEMBL7454072 0.88 F2 (0.66) F2F10NR4A2MRGPRX4PRSS1
SCHEMBL7454069 0.86 F2 (0.70) F2F10NR4A2MRGPRX4PRSS1
SCHEMBL7120282 0.83 PRSS1 (0.66) F2F10ITGB3ITGA2BPRSS1
SCHEMBL7453459 0.83 F2 (0.62) F2F10NR4A2MRGPRX4PRSS1
SCHEMBL7450278 0.82 F2 (0.72) F2F10NR4A2PRSS1
SCHEMBL7452930 0.82 F2 (0.94) F2F10NR4A2PRSS1
SCHEMBL7670816 0.81 F10 (0.67) F2F10NR4A2MRGPRX4PRSS1

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