SCHEMBL16634751

SCHEMBL16634751

CN(C)Cc1ccc2c(c1)n(C(=O)c1c(Cl)cccc1Cl)c(=O)n2-c1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.42
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
USP14 P54578 1/20 0.37
CYP3A4 P08684 2/20 0.37
PPARG P37231 1/20 0.37
TNKS O95271 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
RARG P13631 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL16634649 0.89 RORC (0.43) RORCCYP3A4PPARGRARGCYP1A2
SCHEMBL16634554 0.81 RORC (0.55) RORCCYP3A4RARGCYP1A2CYP2C9
SCHEMBL16634673 0.79 RORC (0.40) RORCITGB1ITGA4ITGB7CYP3A4
SCHEMBL16634779 0.77 RORC (0.53) RORCCYP3A4PPARGRARGCYP1A2
SCHEMBL16634671 0.74 LTA4H (0.39) RORCCYP3A4RARGCYP1A2CYP2C9
SCHEMBL16634636 0.71 RORC (0.56) RORCCYP3A4PPARGCYP2C9CYP2C19
SCHEMBL16634679 0.71 RORC (0.46) RORCCYP3A4CYP2C9CYP2C19
SCHEMBL16634830 0.71 RORC (0.43) RORCCYP3A4RARGCYP1A2CYP2C9
SCHEMBL16634647 0.69 RORC (0.54) RORCCYP3A4PPARGCYP2C9
SCHEMBL16634750 0.69 PARP1 (0.44) MEN1LMNAKMT2A

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