SCHEMBL16634673

SCHEMBL16634673

CN(c1ccc2c(c1)n(C(=O)c1c(Cl)cccc1Cl)c(=O)n2-c1ccc(C(=O)O)cc1)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.40
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RARG P13631 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL16634751 0.79 RORC (0.42) RORCCYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL16634671 0.79 LTA4H (0.39) RORCCYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL16634554 0.78 RORC (0.55) RORCCYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL16634649 0.78 RORC (0.43) RORCCYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL16634779 0.74 RORC (0.53) RORCCYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL16634679 0.74 RORC (0.46) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634530 0.74 AURKA (0.40)
SCHEMBL16634636 0.71 RORC (0.56) RORCCYP2C9CYP3A4CYP2C19PPARG
SCHEMBL16634721 0.69 RAB9A (0.45) RORC
SCHEMBL16634830 0.68 RORC (0.43) RORCCYP2C9CYP3A4CYP1A2CYP2C19

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