SCHEMBL529489

SCHEMBL529489

COc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
HTT P42858 3/20 0.62
LMNA P02545 3/20 0.49
POLB P06746 1/20 0.49
RAF1 P04049 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL528849 0.91 MAPT (0.73) MAPTHTTLMNASMN1; SMN2KDM4E
SCHEMBL528488 0.89 MAPT (0.64) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528834 0.87 MAPT (0.62) MAPTHTTLMNAPOLBSMN1; SMN2
SCHEMBL527908 0.87 MAPT (0.61) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528264 0.86 MAPT (0.60) MAPTHTTLMNAPOLBKDM4E
SCHEMBL528625 0.82 MAPT (0.54) MAPTHTTLMNASMN1; SMN2KDM4E
SCHEMBL528500 0.81 MAPT (0.77) MAPTHTTLMNASMN1; SMN2KDM4E
SCHEMBL528224 0.80 ALDH1A1 (0.56) MAPTHTTLMNAPOLBSMN1; SMN2
SCHEMBL528717 0.80 MAPT (0.76) MAPTHTTLMNASMN1; SMN2KDM4E
SCHEMBL528788 0.80 MAPT (0.54) MAPTHTTLMNAPOLBKDM4E

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