SCHEMBL529245

SCHEMBL529245

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 1/20 0.52
RXFP1 Q9HBX9 6/20 0.52
RAB9A P51151 2/20 0.50
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MCL1 Q07820 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 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
SCHEMBL528349 0.95 RXFP1 (0.49) MEN1KMT2AHSD17B10RXFP1RAB9A
SCHEMBL528369 0.93 MEN1 (0.52) MEN1KMT2AHSD17B10RXFP1RAB9A
SCHEMBL528514 0.91 L3MBTL1 (0.49) KMT2ARXFP1RAB9AKCNK3KCNK9
SCHEMBL527894 0.90 RXFP1 (0.49) MEN1KMT2AHSD17B10RXFP1RAB9A
SCHEMBL528613 0.90 MAPT (0.54) MEN1KMT2AHSD17B10RXFP1RAB9A
SCHEMBL528572 0.88 RXFP1 (0.48) MEN1KMT2AHSD17B10RXFP1RAB9A
SCHEMBL528340 0.88 FFAR1 (0.51) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL528672 0.85 SMO (0.46) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL529397 0.85 MAPT (0.57) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL528851 0.84 RXFP1 (0.46) MEN1KMT2AHSD17B10RXFP1RAB9A

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