SCHEMBL8812142

SCHEMBL8812142

[c]1scc(C2CC2)c1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 7/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL9536952 0.73 KDM4E (0.41) HSD17B10KDM4EL3MBTL1MAPTHPGD
SCHEMBL8813597 0.68 KDM4E (0.33) HSD17B10KDM4EL3MBTL1MAPTHPGD
SCHEMBL8671559 0.64
Bromide SCHEMBL7869699 0.61 L3MBTL1 (0.52) HSD17B10KDM4EL3MBTL1MAPTHPGD
SCHEMBL2779806 0.61 KDM4E (0.43) HSD17B10KDM4EL3MBTL1MAPTHPGD
SCHEMBL5535359 0.61 KDM4E (0.37) HSD17B10KDM4EL3MBTL1MAPTHPGD
SCHEMBL7364550 0.61 LTA4H (0.39) HSD17B10KDM4EL3MBTL1MAPTHPGD
SCHEMBL3545 0.61 L3MBTL1 (0.57) HSD17B10KDM4EL3MBTL1MAPTHPGD
SCHEMBL16291133 0.61 L3MBTL1 (0.57) HSD17B10KDM4EL3MBTL1MAPTHPGD
SCHEMBL497608 0.60

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-1997011951-A1 FUNGICIDES ZENECA LIMITED (GB) 1997-04-03 WO disclosed