SCHEMBL16634779

SCHEMBL16634779

O=C(O)c1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3Cl)c3ccc(F)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.53
CYP3A4 P08684 5/20 0.45
CYP2C9 P11712 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.40
P2RX7 Q99572 1/20 0.40
RARG P13631 1/20 0.39
PPARG P37231 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL16634554 0.86 RORC (0.55) RORCCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL16634649 0.81 RORC (0.43) RORCCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL16634636 0.78 RORC (0.56) RORCCYP3A4CYP2C9CYP2C19PPARG
SCHEMBL16634751 0.77 RORC (0.42) RORCCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL16634717 0.76 RORC (0.55) RORCCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL16634781 0.76 RORC (0.55) RORCCYP3A4CYP2C9CYP2C19
SCHEMBL16634830 0.75 RORC (0.43) RORCCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL16634673 0.74 RORC (0.40) RORCCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL16634666 0.74 MYC (0.48) RORCCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL16634671 0.73 LTA4H (0.39) RORCCYP3A4CYP2C9CYP1A2CYP2C19

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