SCHEMBL6756286

SCHEMBL6756286

CCCCC(CC)c1nc2ccc(C)c(C)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.37
ALDH1A1 P00352 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL6757242 0.83 ADORA3 (0.42) ADORA3ALDH1A1ADORA2AADORA2BADORA1
SCHEMBL6753935 0.78 SCN10A (0.38) ALDH1A1KDM4ESCN10A
SCHEMBL6756285 0.78 CBFB (0.38) ADORA3ALDH1A1KDM4ESMN1; SMN2SCN10A
SCHEMBL2950184 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2
SCHEMBL6756139 0.72 PARP1 (0.47) ALDH1A1KDM4E
SCHEMBL6756145 0.71 PI4KA (0.44)
SCHEMBL22962333 0.70 AURKA (0.39) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6542923 0.70 ADORA3 (0.43) ADORA3ALDH1A1ADORA2AADORA2BADORA1
SCHEMBL6753957 0.70 PI4KA (0.43) KDM4E
SCHEMBL6753880 0.70 PI4KA (0.43) KDM4E

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