SCHEMBL528391

SCHEMBL528391

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
HTT P42858 2/20 0.62
ROCK2 O75116 2/20 0.54
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
HPGD P15428 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 1/20 0.51
KCNH2 Q12809 1/20 0.49
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
THRB P10828 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL528578 0.92 ROCK2 (0.53) MAPTHTTROCK2ALDH1A1SMN1; SMN2
SCHEMBL528502 0.92 MAPT (0.65) MAPTHTTROCK2ALDH1A1SMN1; SMN2
SCHEMBL528128 0.91 MAPT (0.64) MAPTHTTROCK2ALDH1A1SMN1; SMN2
SCHEMBL528550 0.90 ALDH1A1 (0.55) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL528145 0.90 MAPT (0.55) MAPTHTTROCK2ALDH1A1SMN1; SMN2
SCHEMBL528858 0.90 ROCK2 (0.51) MAPTHTTROCK2ALDH1A1SMN1; SMN2
SCHEMBL528276 0.89 ROCK2 (0.51) MAPTHTTROCK2ALDH1A1SMN1; SMN2
SCHEMBL529461 0.89 MAPT (0.50) MAPTHTTROCK2ALDH1A1SMN1; SMN2
SCHEMBL527918 0.89 HPGD (0.65) MAPTHTTROCK2ALDH1A1SMN1; SMN2
SCHEMBL528800 0.85 MAPT (0.62) MAPTHTTALDH1A1SMN1; SMN2HPGD

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