SCHEMBL7947358

SCHEMBL7947358

Clc1ccc(SCc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
SCN9A Q15858 1/20 0.46
SLC6A4 P31645 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 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
SCHEMBL9846474 0.81 HSD17B10 (0.50) HSD17B10MAOAMAOBSCN9ASLC6A4
SCHEMBL6482247 0.80 L3MBTL1 (0.49) HSD17B10MAOAMAOBSCN9ASLC6A4
SCHEMBL31468197 0.79 SCN9A (0.53) HSD17B10MAOAMAOBSCN9ASLC6A4
SCHEMBL7956847 0.79 APP (0.56) MAOAMAOBL3MBTL1ALDH1A1TDP1
SCHEMBL15010146 0.79 SCN9A (0.53) HSD17B10MAOAMAOBSCN9ASLC6A4
SCHEMBL19859227 0.79 SCN9A (0.49) HSD17B10MAOAMAOBSCN9ASLC6A4
SCHEMBL2887792 0.79 SCN9A (0.52) HSD17B10MAOAMAOBSCN9ASLC6A4
SCHEMBL29464960 0.79 SMN1; SMN2 (0.50) HSD17B10MAOAMAOBSCN9ASLC6A4
SCHEMBL19970154 0.79 SMN1; SMN2 (0.50) HSD17B10MAOAMAOBSCN9ASLC6A4
SCHEMBL20609867 0.75 HSD17B10 (0.47) HSD17B10L3MBTL1ALDH1A1TDP1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed