SCHEMBL529290

SCHEMBL529290

COc1ccc(F)cc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
HTT P42858 4/20 0.46
ALDH1A1 P00352 6/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
AHR P35869 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
PPARA Q07869 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL529518 0.90 MAPT (0.46) MAPTHTTALDH1A1NPSR1GAA
SCHEMBL528660 0.90 L3MBTL1 (0.48) MAPTHTTALDH1A1L3MBTL1HPGD
SCHEMBL528401 0.89 MAPT (0.47) MAPTHTTALDH1A1NPSR1GAA
SCHEMBL528265 0.86 ALDH1A1 (0.54) MAPTHTTALDH1A1L3MBTL1HPGD
SCHEMBL529592 0.84 MAPT (0.55) MAPTALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL528370 0.84 MAPT (0.52) MAPTHTTALDH1A1NPSR1HPGD
SCHEMBL528858 0.82 ROCK2 (0.51) MAPTHTTALDH1A1GAAHPGD
SCHEMBL529226 0.82 SMN1; SMN2 (0.48) MAPTALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL527894 0.81 RXFP1 (0.49) MAPTHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL528331 0.81 FFAR1 (0.49) MAPTHTTALDH1A1GAAHPGD

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