SCHEMBL529461

SCHEMBL529461

COc1ccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)C3CC3)cc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ROCK2 O75116 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL528391 0.89 MAPT (0.62) MAPTROCK2HTTSMN1; SMN2ALDH1A1
SCHEMBL528578 0.88 ROCK2 (0.53) MAPTROCK2HTTSMN1; SMN2ALDH1A1
SCHEMBL528053 0.86 MAPT (0.55) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL528858 0.86 ROCK2 (0.51) MAPTROCK2HTTSMN1; SMN2ALDH1A1
SCHEMBL528276 0.85 ROCK2 (0.51) MAPTROCK2HTTSMN1; SMN2ALDH1A1
SCHEMBL527918 0.85 HPGD (0.65) MAPTROCK2HTTSMN1; SMN2ALDH1A1
SCHEMBL528272 0.84 MAPT (0.45) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL528274 0.83 L3MBTL1 (0.47) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL528277 0.83 MAPT (0.62) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL529288 0.82 MAPT (0.58) MAPTHTTSMN1; SMN2ALDH1A1HPGD

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed