SCHEMBL16634699

SCHEMBL16634699

O=C(c1c(Cl)cccc1Cl)n1c(=O)n(-c2ccc(-c3noc(=O)[nH]3)cc2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 1/20 0.39
PARP1 P09874 1/20 0.39
RBP4 P02753 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
XDH P47989 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
CMA1 P23946 2/20 0.35
PLA2G2A P14555 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5AP P20292 1/20 0.35
RARG P13631 1/20 0.35
RORC P51449 1/20 0.35
RPA1 P27694 1/20 0.34
KMO O15229 1/20 0.34
RARB P10826 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 0.76 RORC (0.55) RARGRORC
SCHEMBL16634830 0.74 RORC (0.43) PARP1ALDH1A1RARGRORC
SCHEMBL16634709 0.74 TAS1R3 (0.44) SLC22A12RARGRORC
SCHEMBL16634740 0.74 RORC (0.37) ALDH1A1RARGRORC
SCHEMBL16634644 0.71 RORC (0.40) ALDH1A1RARGRORC
SCHEMBL16634643 0.71 RORC (0.40) RARGRORC
SCHEMBL16634666 0.70 MYC (0.48) ALDH1A1RARGRORC
SCHEMBL16634721 0.69 RAB9A (0.45) RORC
SCHEMBL16634717 0.68 RORC (0.55) RORC
SCHEMBL16634665 0.68 ALDH1A1 (0.40) ALDH1A1

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