SCHEMBL528578

SCHEMBL528578

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.53
MAPT P10636 5/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 4/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL528276 0.96 ROCK2 (0.51) ROCK2MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL528391 0.92 MAPT (0.62) ROCK2MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL528858 0.89 ROCK2 (0.51) ROCK2MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL529461 0.88 MAPT (0.50) ROCK2MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL527918 0.88 HPGD (0.65) ROCK2MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL528399 0.86 MAPT (0.56) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL528511 0.86 KMT2A (0.52) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL529259 0.83 MAPT (0.55) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL529579 0.83 MAPT (0.61) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL528111 0.83 MAPT (0.48) 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 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