SCHEMBL528572

SCHEMBL528572

CCOc1ccccc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)C2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
MRGPRX1 Q96LB2 4/20 0.44
TSPO P30536 1/20 0.44
KCNK3 O14649 3/20 0.44
KCNK9 Q9NPC2 3/20 0.44
ALDH1A1 P00352 1/20 0.43
MCL1 Q07820 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL528274 0.91 L3MBTL1 (0.47) RXFP1HSD17B10MEN1KMT2ARAB9A
SCHEMBL529245 0.88 MEN1 (0.52) RXFP1HSD17B10MEN1KMT2ARAB9A
SCHEMBL528369 0.88 MEN1 (0.52) RXFP1HSD17B10MEN1KMT2ARAB9A
SCHEMBL529438 0.87 MAPT (0.54) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL528349 0.86 RXFP1 (0.49) RXFP1HSD17B10MEN1KMT2ARAB9A
SCHEMBL527894 0.86 RXFP1 (0.49) RXFP1HSD17B10MEN1KMT2ARAB9A
SCHEMBL528613 0.86 MAPT (0.54) RXFP1HSD17B10MEN1KMT2ARAB9A
SCHEMBL529361 0.84 ALDH1A1 (0.50) MEN1KMT2ARAB9AMRGPRX1TSPO
SCHEMBL528272 0.81 MAPT (0.45) RXFP1MEN1KMT2AKCNK3KCNK9
SCHEMBL528851 0.80 RXFP1 (0.46) RXFP1HSD17B10MEN1KMT2ARAB9A

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