SCHEMBL2873807

SCHEMBL2873807

CC(C)CCc1c(CN)ccc2[nH]c(CO)nc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.35
▸ GCGR P47871 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PKM P14618 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
SCHEMBL2866756 0.81 SMN1; SMN2 (0.36) AAK1MAPTALOX15HTTNPSR1
SCHEMBL2875445 0.79 AAK1 (0.39) AAK1GCGRTDP1HTTNPSR1
SCHEMBL2873804 0.79 AAK1 (0.34) AAK1GCGRTDP1MAPTHTT
SCHEMBL2865970 0.78 CACNA1H (0.33) TDP1
SCHEMBL2868954 0.71 SMN1; SMN2 (0.36) AAK1MAPTALOX15HTTNPSR1
SCHEMBL2872949 0.70 KDM4E (0.36) AAK1MAPTHTTSMN1; SMN2
SCHEMBL2866173 0.70 — —
SCHEMBL2872637 0.67 AAK1 (0.36) AAK1MAPTALOX15HTTNPSR1
SCHEMBL2873829 0.66 KDM4E (0.35) AAK1MAPTHTTSMN1; SMN2
SCHEMBL6753981 0.65 AAK1 (0.45) AAK1SMN1; SMN2

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-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 — — WO disclosed
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