SCHEMBL5318291

SCHEMBL5318291

Cn1c(NC2CCCC2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
RAF1 P04049 1/20 0.53
BRAF P15056 1/20 0.53
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
HCAR3 P49019 6/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48
MAPK8 P45983 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
KCNH2 Q12809 1/20 0.45
TP53 P04637 2/20 0.45
PTGER4 P35408 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5317040 0.90 MAPK8 (0.59) L3MBTL1RAF1BRAFCSNK2A2CSNK2B
SCHEMBL5320017 0.79 HDAC6 (0.50) L3MBTL1RAF1BRAFHCAR3HSD17B10
SCHEMBL6320502 0.78 HDAC6 (0.53) L3MBTL1HCAR3HSD17B10HDAC6PTGER4
SCHEMBL14263330 0.77 KDM4E (0.51) RAF1BRAFHSD17B10GAAKCNH2
SCHEMBL5318329 0.76 ITK (0.51) RAF1BRAFHDAC6KCNH2
SCHEMBL15019951 0.76 L3MBTL1 (0.56) L3MBTL1HCAR3HSD17B10GAAHDAC6
SCHEMBL4258690 0.76 HDAC6 (0.53) L3MBTL1HCAR3HSD17B10GAAHDAC6
SCHEMBL1970364 0.75 HDAC6 (0.57) L3MBTL1HCAR3HSD17B10HDAC6PTGER4
SCHEMBL4978261 0.75 PKM (0.56) L3MBTL1RAF1BRAFGAA
SCHEMBL25243334 0.75 CSNK2A1 (0.52) L3MBTL1CSNK2A2CSNK2BCSNK2A1HCAR3

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-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed