SCHEMBL528799

SCHEMBL528799

Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3OC(F)(F)F)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 4/20 0.59
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.50
KCNH2 Q12809 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
AGTR1 P30556 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
SCHEMBL527892 0.89 MAPT (0.73) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528045 0.87 MAPT (0.61) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528770 0.86 MAPT (0.60) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL529121 0.86 ALDH1A1 (0.64) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528449 0.85 ALDH1A1 (0.67) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528208 0.85 ALDH1A1 (0.64) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528084 0.83 SMN1; SMN2 (0.56) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528857 0.83 SMN1; SMN2 (0.56) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL529111 0.83 MAPT (0.64) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL529488 0.82 ALDH1A1 (0.63) 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