SCHEMBL529049

SCHEMBL529049

COc1ccc(Cl)cc1NC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 3/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL530943 0.90 MAPT (0.57) MAPTHTTLMNAKMT2AMEN1
SCHEMBL528121 0.86 MAPT (0.75) MAPTHTTLMNAKMT2AMEN1
SCHEMBL531180 0.83 KMT2A (0.61) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL529695 0.82 MAPT (0.50) MAPTHTTLMNAKMT2AMEN1
SCHEMBL530471 0.80 MAPT (0.56) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL530240 0.80 KMT2A (0.55) MAPTHTTLMNAKMT2AMEN1
SCHEMBL528834 0.77 MAPT (0.62) MAPTHTTLMNAKMT2AMEN1
SCHEMBL528500 0.77 MAPT (0.77) MAPTHTTLMNAKMT2AMEN1
SCHEMBL528717 0.76 MAPT (0.76) MAPTHTTLMNAKMT2AMEN1
SCHEMBL527915 0.75 ALDH1A1 (0.59) MAPTHTTLMNAKMT2AMEN1

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