SCHEMBL528794

SCHEMBL528794

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(OC(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
LMNA P02545 5/20 0.62
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NR3C1 P04150 3/20 0.48
TRPM8 Q7Z2W7 2/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KAT6A Q92794 1/20 0.47
GAA P10253 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
SCHEMBL528293 0.92 MAPT (0.59) MAPTLMNAKDM4EALDH1A1NR3C1
SCHEMBL529032 0.90 MAPT (0.77) MAPTLMNAKDM4EALDH1A1NR3C1
SCHEMBL529548 0.90 MAPT (0.52) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL528856 0.89 MAPT (0.49) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL528329 0.87 MAPT (0.47) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL529003 0.87 MAPT (0.66) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL528590 0.86 MAPT (0.63) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL528683 0.86 MAPT (0.77) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL528499 0.84 MAPT (0.63) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL527969 0.84 MAPT (0.60) MAPTLMNAKDM4EALDH1A1KMT2A

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