SCHEMBL529092

SCHEMBL529092

COc1ccc(C(=O)Nc2cccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
MAPT P10636 6/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 2/20 0.52
RAB9A P51151 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52

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
SCHEMBL529523 0.91 MAPT (0.56) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL528835 0.90 MAPT (0.62) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL528800 0.89 MAPT (0.62) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL528007 0.89 MAPT (0.62) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL528112 0.89 KMT2A (0.70) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL528632 0.87 ALDH1A1 (0.51) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL528145 0.86 MAPT (0.55) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL529227 0.84 MAPT (0.57) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL528092 0.84 MAPT (0.70) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL528625 0.84 MAPT (0.54) KMT2AMEN1MAPTNPSR1HTT

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