SCHEMBL13152254

SCHEMBL13152254

CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(N)c2ccc(OC(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 2/20 0.39
BRPF1 P55201 2/20 0.36
MAP2K4 P45985 2/20 0.36
PRMT6 Q96LA8 3/20 0.35
SCN9A Q15858 2/20 0.34
KIT P10721 2/20 0.33
ALDH2 P05091 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SCN5A Q14524 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL13152661 0.93 SGK1 (0.40) SGK1BRPF1MAP2K4PRMT6SCN9A
SCHEMBL13152145 0.89 SGK1 (0.41) SGK1BRPF1MAP2K4PRMT6ALDH2
SCHEMBL13151857 0.88 NPC1 (0.37) KITADORA2AADORA2B
SCHEMBL13151866 0.88 DYRK1A (0.36) SGK1BRPF1KITADORA2AADORA2B
SCHEMBL10095974 0.87 CYP11B2 (0.35) SGK1BRPF1MAP2K4PRMT6SCN9A
SCHEMBL13151766 0.85 SGK1 (0.40) SGK1BRPF1MAP2K4PRMT6SCN9A
SCHEMBL13151842 0.84 TDP1 (0.38) SGK1MAP2K4
SCHEMBL13152587 0.84 DYRK1A (0.41) SGK1BRPF1PRMT6ALDH2IDO1
SCHEMBL10097698 0.84 AR (0.41) SGK1PRMT6ADORA2AADORA2B
SCHEMBL13152265 0.82 SGK1 (0.40) SGK1BRPF1MAP2K4PRMT6SCN9A

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed