SCHEMBL16634709

SCHEMBL16634709

N#Cc1ccc(-n2c(=O)n(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
USP14 P54578 6/20 0.38
RORC P51449 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
RARG P13631 1/20 0.34
FFAR2 O15552 1/20 0.34
AR P10275 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP2 O95551 1/20 0.33

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 0.82 RORC (0.55) RORCRARGCYP1A2CYP3A4CYP2C9
SCHEMBL16634830 0.81 RORC (0.43) RORCNPC1GLAHPGDRARG
SCHEMBL16634740 0.81 RORC (0.37) RORCNPC1GLAHPGDRARG
SCHEMBL16634644 0.80 RORC (0.40) RORCNPC1GLAHPGDRARG
SCHEMBL16634643 0.78 RORC (0.40) RORCNPC1GLAHPGDRARG
SCHEMBL16634666 0.77 MYC (0.48) RORCRARGCYP1A2CYP3A4CYP2C9
SCHEMBL16634721 0.75 RAB9A (0.45) USP14RORCNPC1
SCHEMBL16634665 0.74 ALDH1A1 (0.40)
SCHEMBL16634699 0.74 ADH5 (0.39) RORCSLC22A12RARG
SCHEMBL16634636 0.73 RORC (0.56) RORCCYP3A4CYP2C9CYP2C19

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