SCHEMBL175295

SCHEMBL175295

Nc1nc(-c2ccccc2)c(C(=O)c2c(Cl)cccc2Cl)s1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORB Q92753 12/20 0.67
RORC P51449 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
MMP14 P50281 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL257608 0.86 RORB (0.83) RORBRORCALDH1A1HSD17B10CYP1A2
SCHEMBL27653923 0.85 ALDH1A1 (0.64) RORBRORCALDH1A1HSD17B10CYP1A2
SCHEMBL165773 0.81 ADORA3 (0.61) RORBALDH1A1HSD17B10CYP1A2MAPT
SCHEMBL257616 0.81 ADORA3 (0.64) RORBALDH1A1HSD17B10CYP1A2MAPT
SCHEMBL10092883 0.80 RORB (0.67) RORBRORCALDH1A1HSD17B10PKM
SCHEMBL27583074 0.79 ALDH1A1 (0.61) RORBRORCALDH1A1HSD17B10CYP1A2
SCHEMBL2762916 0.79 ALDH1A1 (0.64) RORBALDH1A1HSD17B10CYP1A2MAPT
SCHEMBL257437 0.78 RORB (0.76) RORBRORCALDH1A1MAPTPOLB
SCHEMBL257572 0.78 RORB (1.00) RORBRORC
SCHEMBL178218 0.78 ADORA3 (0.60) RORBRORCALDH1A1HSD17B10MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed