SCHEMBL16634666

SCHEMBL16634666

O=C(O)c1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.48
NR4A1 P22736 1/20 0.48
RORC P51449 12/20 0.43
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NOTUM Q6P988 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RARG P13631 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CTSB P07858 1/20 0.36
MEN1 O00255 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
SCHEMBL16634554 0.84 RORC (0.55) RORCL3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL16634830 0.78 RORC (0.43) RORCPOLBCYP3A4CYP1A2CYP2C9
SCHEMBL16634740 0.77 RORC (0.37) RORCPOLBCYP3A4CYP1A2CYP2C9
SCHEMBL16634709 0.77 TAS1R3 (0.44) RORCCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16634643 0.74 RORC (0.40) RORCCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16634644 0.74 RORC (0.40) RORCPOLBL3MBTL1CYP3A4CYP1A2
SCHEMBL16634636 0.74 RORC (0.56) RORCCYP3A4CYP2C9CYP2C19
SCHEMBL16634779 0.74 RORC (0.53) RORCCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16634649 0.73 RORC (0.43) RORCCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16634721 0.72 RAB9A (0.45) RORCPOLBKMT2ATSHRCASP1

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