SCHEMBL528805

SCHEMBL528805

Cc1ccc(N(Cc2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 6/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 1/20 0.51
KCNH2 Q12809 1/20 0.49
NPSR1 Q6W5P4 3/20 0.49
POLB P06746 2/20 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
SCHEMBL528258 0.91 MAPT (0.59) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL529586 0.91 MAPT (0.59) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528854 0.89 MAPT (0.56) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528208 0.88 ALDH1A1 (0.64) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528121 0.88 MAPT (0.75) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528352 0.86 MAPT (0.78) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528307 0.86 KMT2A (0.63) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL529419 0.85 MAPT (0.61) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528797 0.84 MAPT (0.51) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528351 0.83 MAPT (0.48) MAPTHTTALDH1A1KDM4EHPGD

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