SCHEMBL16634638

SCHEMBL16634638

O=C(O)c1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3C(F)F)c3ccccc32)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.50
CYP2C9 P11712 5/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2C19 P33261 1/20 0.43

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
SCHEMBL16634781 0.92 RORC (0.55) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634824 0.87 RORC (0.51) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634596 0.85 RORC (0.61) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634653 0.85 RORC (0.60) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634773 0.85 RORC (0.48) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634761 0.84 RORC (0.58) RORCCYP2C9CYP3A4
SCHEMBL16634752 0.82 RORC (0.56) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634943 0.80 RORC (0.48) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634828 0.79 RORC (0.46) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634679 0.79 RORC (0.46) RORCCYP2C9CYP3A4CYP2C19

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