SCHEMBL6756285

SCHEMBL6756285

CCCCC(CC)c1nc2c(C)c(C)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.38
ADORA3 P0DMS8 3/20 0.35
ALDH1A1 P00352 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
OPRM1 P35372 1/20 0.31
LMNA P02545 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL7614140 0.83 MGAM (0.40) CBFBALDH1A1
SCHEMBL6753933 0.78 CBFB (0.42) CBFBADAMTS5EGLN1SMN1; SMN2NPC1
SCHEMBL6756286 0.78 ADORA3 (0.37) ADORA3ALDH1A1SMN1; SMN2KDM4ESCN10A
SCHEMBL6757190 0.74 CBFB (0.46) CBFBALDH1A1ADAMTS5EGLN1SMN1; SMN2
SCHEMBL2950184 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6756137 0.72 CBFB (0.42) CBFBALDH1A1ADAMTS5OPRM1PARP1
SCHEMBL6756143 0.71 CBFB (0.41) CBFBOPRM1
SCHEMBL6753932 0.70 GPR84 (0.42) CBFBALDH1A1OPRM1
SCHEMBL6753984 0.70 GPR84 (0.42) CBFBALDH1A1OPRM1
SCHEMBL6753954 0.70 GPR84 (0.42) CBFBALDH1A1OPRM1

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
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed