SCHEMBL7956847

SCHEMBL7956847

COc1ccc(CSc2ccc(Cl)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.56
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.52
TERT O14746 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
DAO P14920 2/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2886374 0.83 APP (0.58) APPMAOBMAOAMEN1KMT2A
SCHEMBL28625801 0.82 APP (0.56) APPMAOBMAOAMEN1KMT2A
SCHEMBL17262129 0.82 APP (0.56) APPMAOBMAOAKMT2ADAO
SCHEMBL25214135 0.81 APP (0.58) APPMAOBMAOAMEN1KMT2A
SCHEMBL3228582 0.80 APP (0.82) APPMAOBMAOAMEN1KMT2A
SCHEMBL31294163 0.80 APP (0.57) APPMAOBMAOAMEN1KMT2A
SCHEMBL28585249 0.79 APP (0.54) APPMAOBMAOADAOTSHR
SCHEMBL12945246 0.79 APP (0.70) APPMAOBMAOAMEN1KMT2A
SCHEMBL7947358 0.79 HSD17B10 (0.47) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL31647232 0.78 APP (0.55) APPMAOBMAOAMEN1KMT2A

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