SCHEMBL529586

SCHEMBL529586

Cc1ccc(F)c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 7/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
KCNH2 Q12809 1/20 0.50
GAA P10253 2/20 0.49
POLB P06746 1/20 0.48

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 0.92 MAPT (0.59) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL528383 0.92 NPSR1 (0.65) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL528805 0.91 MAPT (0.58) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL528854 0.89 MAPT (0.56) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL529230 0.89 MAPT (0.49) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL528208 0.89 ALDH1A1 (0.64) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL528352 0.87 MAPT (0.78) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL528500 0.86 MAPT (0.77) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL529419 0.86 MAPT (0.61) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL528449 0.83 ALDH1A1 (0.67) MAPTHTTALDH1A1HPGDKDM4E

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