SCHEMBL528474

SCHEMBL528474

CCOc1ccccc1C(=O)Nc1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.53
KCNK9 Q9NPC2 3/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RXFP1 Q9HBX9 7/20 0.48
PARP1 P09874 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL528369 0.91 MEN1 (0.52) KCNK3KCNK9MEN1KMT2ARXFP1
SCHEMBL528261 0.91 MAPK1 (0.58) KCNK3KCNK9MEN1KMT2ARXFP1
SCHEMBL528847 0.88 MEN1 (0.55) KCNK3KCNK9MEN1KMT2AL3MBTL1
SCHEMBL528567 0.88 KCNK3 (0.54) KCNK3KCNK9MEN1KMT2ARXFP1
SCHEMBL529422 0.85 NPC1 (0.53) KCNK3KCNK9MEN1KMT2AL3MBTL1
SCHEMBL528522 0.85 MEN1 (0.52) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL528589 0.85 MEN1 (0.52) KCNK3KCNK9MEN1KMT2AL3MBTL1
SCHEMBL529227 0.84 MAPT (0.57) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL529245 0.83 MEN1 (0.52) KCNK3KCNK9MEN1KMT2ARXFP1
SCHEMBL529102 0.83 MAPT (0.55) MEN1KMT2AKDM4EALDH1A1MAPT

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