SCHEMBL529548

SCHEMBL529548

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(OC(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
NPSR1 Q6W5P4 3/20 0.52
LMNA P02545 7/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 2/20 0.44
PTPN1 P18031 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 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
SCHEMBL528856 0.92 MAPT (0.49) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL528329 0.91 MAPT (0.47) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL528857 0.90 SMN1; SMN2 (0.56) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL528084 0.90 SMN1; SMN2 (0.56) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL528794 0.90 MAPT (0.62) MAPTLMNAKMT2AHTTALDH1A1
SCHEMBL527890 0.89 MAPT (0.62) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL528788 0.86 MAPT (0.54) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL528754 0.85 MAPT (0.56) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL529349 0.85 MAPT (0.61) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL529287 0.84 KMT2A (0.64) MAPTNPSR1LMNAMEN1KMT2A

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