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SCHEMBL16634647

SCHEMBL16634647

O=C(O)c1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(CO)ccc32)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 0.54
▸ CYP2C9 P11712 2/20 0.52
▸ PPARG P37231 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL16634596 0.89 RORC (0.61) RORCCYP2C9PPARGCYP3A4
SCHEMBL16634653 0.88 RORC (0.60) RORCCYP2C9PPARGCYP3A4
SCHEMBL16634642 0.87 RORC (0.50) RORCCYP2C9PPARGCYP3A4
SCHEMBL16634775 0.83 RORC (0.63) RORCCYP2C9PPARGCYP3A4
SCHEMBL16634645 0.80 RORC (0.45) RORCCYP2C9PPARG
SCHEMBL16634652 0.80 RORC (0.50) RORCCYP2C9PPARGCYP3A4
SCHEMBL16634781 0.80 RORC (0.55) RORCCYP2C9CYP3A4
SCHEMBL16634649 0.79 RORC (0.43) RORCCYP2C9PPARGCYP3A4
SCHEMBL16634697 0.78 RORC (0.51) RORCCYP2C9PPARGCYP3A4
SCHEMBL16634616 0.77 RORC (0.49) RORCCYP2C9PPARGCYP3A4

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
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 — — WO claimed
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 — — WO disclosed