SCHEMBL528293

SCHEMBL528293

Cc1ccc(N(Cc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)S(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
LMNA P02545 7/20 0.59
TRPM8 Q7Z2W7 6/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
NR3C1 P04150 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL528794 0.92 MAPT (0.62) MAPTLMNATRPM8ALDH1A1KDM4E
SCHEMBL528901 0.89 MAPT (0.74) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL528084 0.88 SMN1; SMN2 (0.56) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL528857 0.88 SMN1; SMN2 (0.56) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL529003 0.88 MAPT (0.66) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL529426 0.88 LMNA (0.55) MAPTLMNASMN1; SMN2MEN1MAPK1
SCHEMBL531055 0.87 MAPT (0.71) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL527884 0.87 MAPT (0.74) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL528120 0.86 LMNA (0.53) MAPTLMNASMN1; SMN2MEN1MAPK1
SCHEMBL528227 0.86 ALDH1A1 (0.64) MAPTLMNAALDH1A1KDM4ESMN1; SMN2

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