SCHEMBL4780052

SCHEMBL4780052

CCN(CC)C(=O)c1ccc2nc(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CHEK2 O96017 1/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP2 P42575 1/20 0.41
HIF1A Q16665 3/20 0.41
MDH1 P40925 1/20 0.41
MDH2 P40926 1/20 0.41
EP300 Q09472 1/20 0.41
EPAS1 Q99814 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3145341 0.91 RAB9A (0.48) RAB9ALMNANPC1PKMHTT
SCHEMBL4308303 0.87 HIF1A (0.51) RAB9AHIF1AEPAS1MEN1KMT2A
SCHEMBL3137728 0.86 HIF1A (0.52) CHEK2RAB9AHIF1AEPAS1MEN1
SCHEMBL3147963 0.79 HIF1A (0.51) RAB9ALMNANPC1PKMHTT
SCHEMBL3152851 0.79 HIF1A (0.54) SMN1; SMN2HIF1AMDH1MDH2EP300
SCHEMBL13576958 0.75 CASP2 (0.55) RAB9ALMNANPC1PKMHTT
SCHEMBL13576905 0.70 HIF1A (0.60) RAB9ANPC1SMN1; SMN2HIF1AEPAS1
SCHEMBL3147956 0.69 PDE10A (0.45) RAB9ALMNANPC1CASP2HIF1A
SCHEMBL9307149 0.67 HPGD (0.56) CHEK2RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL7682812 0.67 RAB9A (0.58) CHEK2RAB9ALMNANPC1PKM

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-2008039008-A1 COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING BENZAZOLE DERIVATIVES AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-04-03 WO disclosed