SCHEMBL528853

SCHEMBL528853

COc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.75
KDM4E B2RXH2 6/20 0.75
ALDH1A1 P00352 3/20 0.66
HPGD P15428 3/20 0.63
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 4/20 0.56
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.50
PTGES O14684 1/20 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
SCHEMBL528294 0.92 KDM4E (0.65) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL528552 0.91 KDM4E (0.64) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL527892 0.90 MAPT (0.73) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL528229 0.89 MAPT (0.62) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL528291 0.87 KDM4E (0.68) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL528566 0.86 MAPT (0.59) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL529288 0.85 MAPT (0.58) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL528901 0.85 MAPT (0.74) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL528306 0.84 KDM4E (0.67) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL529354 0.84 MAPT (0.55) MAPTKDM4EALDH1A1HPGDHTT

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