SCHEMBL16634733

SCHEMBL16634733

COc1cccc(F)c1C(=O)n1c(=O)n(-c2ccc(C(=O)O)cc2F)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.46
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
PYGL P06737 1/20 0.37
HTR7 P34969 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL16634773 0.91 RORC (0.48) RORCLMNAMAPK1HTTRAB9A
SCHEMBL16634781 0.82 RORC (0.55) RORCCYP2C9CYP3A4
SCHEMBL16634824 0.78 RORC (0.51) RORCCYP2C9CYP3A4
SCHEMBL16634638 0.77 RORC (0.50) RORCCYP2C9CYP3A4
SCHEMBL16634596 0.77 RORC (0.61) RORCCYP2C9CYP3A4
SCHEMBL16634869 0.76 RORC (0.55) RORCCYP2C9CYP3A4
SCHEMBL16634653 0.76 RORC (0.60) RORCCYP2C9CYP3A4
SCHEMBL16634761 0.75 RORC (0.58) RORCCYP2C9CYP3A4
SCHEMBL16634752 0.74 RORC (0.56) RORCCYP2C9CYP3A4
SCHEMBL16634679 0.72 RORC (0.46) RORCCYP2C9CYP3A4

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