SCHEMBL528291

SCHEMBL528291

CCc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 4/20 0.68
MAPT P10636 10/20 0.64
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
PTGES O14684 1/20 0.52
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL529168 0.89 MAPT (0.55) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL529111 0.89 MAPT (0.64) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL528552 0.87 KDM4E (0.64) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL528853 0.87 MAPT (0.75) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL528278 0.86 MAPT (0.55) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL528306 0.86 KDM4E (0.67) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL529003 0.85 MAPT (0.66) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL528675 0.85 MAPT (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL527884 0.84 MAPT (0.74) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL527937 0.83 ALDH1A1 (0.48) KDM4EALDH1A1MAPTHPGDSMN1; 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