SCHEMBL528269

SCHEMBL528269

Cc1ccc(C)c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)C3CC3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 5/20 0.49
TP53 P04637 3/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KCNH2 Q12809 1/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL528277 0.91 MAPT (0.62) NPSR1MAPTHTTALDH1A1TP53
SCHEMBL528351 0.90 MAPT (0.48) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL528383 0.87 NPSR1 (0.65) NPSR1MAPTHTTALDH1A1TP53
SCHEMBL528675 0.86 MAPT (0.51) NPSR1MAPTHTTALDH1A1TP53
SCHEMBL529288 0.84 MAPT (0.58) MAPTHTTALDH1A1TP53KDM4E
SCHEMBL529361 0.83 ALDH1A1 (0.50) MAPTHTTALDH1A1TP53KDM4E
SCHEMBL529586 0.81 MAPT (0.59) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL529419 0.79 MAPT (0.61) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL528500 0.78 MAPT (0.77) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL529212 0.77 NPSR1 (0.48) NPSR1MAPTHTTALDH1A1TP53

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