SCHEMBL16634554

SCHEMBL16634554

O=C(O)c1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.55
RARG P13631 6/20 0.49
CYP2C9 P11712 5/20 0.49
CYP3A4 P08684 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL16634636 0.89 RORC (0.56) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL16634830 0.89 RORC (0.43) RORCRARGCYP2C9CYP3A4CYP1A2
SCHEMBL16634779 0.86 RORC (0.53) RORCRARGCYP2C9CYP3A4CYP1A2
SCHEMBL16634649 0.85 RORC (0.43) RORCRARGCYP2C9CYP3A4CYP1A2
SCHEMBL16634643 0.84 RORC (0.40) RORCRARGCYP2C9CYP3A4CYP1A2
SCHEMBL16634644 0.84 RORC (0.40) RORCRARGCYP2C9CYP3A4CYP1A2
SCHEMBL16634666 0.84 MYC (0.48) RORCRARGCYP2C9CYP3A4CYP1A2
SCHEMBL16634740 0.82 RORC (0.37) RORCRARGCYP2C9CYP3A4CYP1A2
SCHEMBL16634709 0.82 TAS1R3 (0.44) RORCRARGCYP2C9CYP3A4CYP1A2
SCHEMBL16634721 0.82 RAB9A (0.45) RORC

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