SCHEMBL528552

SCHEMBL528552

CCOc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPT P10636 8/20 0.62
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.59
KMT2A Q03164 3/20 0.54
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.50

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
SCHEMBL528853 0.91 MAPT (0.75) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL528045 0.90 MAPT (0.61) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL528865 0.90 ALDH1A1 (0.54) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL528515 0.88 ALDH1A1 (0.52) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL528291 0.87 KDM4E (0.68) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL529361 0.86 ALDH1A1 (0.50) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL528613 0.84 MAPT (0.54) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL528294 0.83 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL528306 0.83 KDM4E (0.67) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL529003 0.82 MAPT (0.66) KDM4EALDH1A1MAPTLMNAGAA

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