SCHEMBL528242

SCHEMBL528242

Cc1ccc(N(Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
NPSR1 Q6W5P4 3/20 0.64
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
LMNA P02545 4/20 0.56
HTT P42858 1/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 3/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 2/20 0.52
KCNH2 Q12809 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL528754 0.90 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528092 0.90 MAPT (0.70) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528646 0.89 ALDH1A1 (0.59) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528058 0.89 MEN1 (0.67) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529360 0.88 LMNA (0.67) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528907 0.88 MAPT (0.64) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528835 0.86 MAPT (0.62) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529419 0.86 MAPT (0.61) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528112 0.85 KMT2A (0.70) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529287 0.84 KMT2A (0.64) MAPTNPSR1MEN1KMT2ALMNA

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