SCHEMBL876310

SCHEMBL876310

[CH]c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.45
SCN9A Q15858 3/20 0.43
CHEK2 O96017 2/20 0.43
IDO1 P14902 2/20 0.42
GPR84 Q9NQS5 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PLA2G7 Q13093 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KDR P35968 2/20 0.39
RAF1 P04049 2/20 0.39
HDAC3 O15379 1/20 0.39
BRAF P15056 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL5668761 0.81 PPARG (0.52) ARCHEK2IDO1GPR84PPARG
SCHEMBL6511184 0.79 MAOA (0.50) ARSCN9ACHEK2IDO1PLA2G7
SCHEMBL18235652 0.79 AR (0.49) ARSCN9ACHEK2IDO1PPARG
SCHEMBL876272 0.79 AR (0.49) ARCHEK2IDO1PPARGPPARA
SCHEMBL14656234 0.79 AR (0.49) ARSCN9ACHEK2IDO1PPARG
SCHEMBL875870 0.78 AR (0.48) ARSCN9ACHEK2IDO1PPARG
SCHEMBL2396132 0.78 AR (0.51) ARSCN9ACHEK2IDO1PPARG
SCHEMBL24998721 0.77 PPARG (0.51) ARSCN9ACHEK2IDO1PPARG
SCHEMBL875873 0.77 AR (0.47) ARSCN9ACHEK2IDO1PPARG
SCHEMBL13945703 0.77 AR (0.47) ARSCN9ACHEK2IDO1CA7

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
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed