SCHEMBL528835

SCHEMBL528835

COc1cccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HTT P42858 1/20 0.59
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
ALDH1A1 P00352 8/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
HPGD P15428 2/20 0.58
GAA P10253 2/20 0.58
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
LMNA P02545 4/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
NLRP3 Q96P20 1/20 0.51

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
SCHEMBL527890 0.90 MAPT (0.62) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL529092 0.90 KMT2A (0.59) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL529523 0.90 MAPT (0.56) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL528800 0.89 MAPT (0.62) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL528007 0.89 MAPT (0.62) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL528092 0.88 MAPT (0.70) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL528058 0.87 MEN1 (0.67) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL529360 0.87 LMNA (0.67) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL528222 0.86 MAPT (0.66) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL528907 0.86 MAPT (0.64) MAPTNPSR1HTTKMT2AMEN1

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