SCHEMBL528851

SCHEMBL528851

CCOc1ccccc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2cn(C)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MCL1 Q07820 1/20 0.42
TP53 P04637 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40

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
SCHEMBL528384 0.93 OXTR (0.44) RXFP1MAPTRAB9APOLBMEN1
SCHEMBL527903 0.88 MAPT (0.52) MAPTRAB9APOLBMEN1KMT2A
SCHEMBL528613 0.85 MAPT (0.54) RXFP1MAPTRAB9APOLBHSD17B10
SCHEMBL528369 0.84 MEN1 (0.52) RXFP1MAPTRAB9APOLBHSD17B10
SCHEMBL529245 0.84 MEN1 (0.52) RXFP1MAPTRAB9APOLBHSD17B10
SCHEMBL528697 0.84 MAPT (0.42) RXFP1MAPTMEN1KMT2AALDH1A1
SCHEMBL528332 0.83 ALDH1A1 (0.51) MAPTPOLBHSD17B10MEN1KMT2A
SCHEMBL527894 0.82 RXFP1 (0.49) RXFP1MAPTRAB9APOLBHSD17B10
SCHEMBL528349 0.82 RXFP1 (0.49) RXFP1MAPTRAB9APOLBHSD17B10
SCHEMBL528572 0.80 RXFP1 (0.48) RXFP1MAPTRAB9APOLBHSD17B10

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