SCHEMBL13600976

SCHEMBL13600976

COc1ccc(CCNC(=O)/C=C(\C)c2cc3cccc(OC(C)c4ccccc4)c3o2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL13600977 1.00 NAMPT (0.49) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4492408 0.93 NAMPT (0.49) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4492412 0.93 NAMPT (0.49) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4492414 0.93 NAMPT (0.49) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4495793 0.85 MAPT (0.47) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4495796 0.85 MAPT (0.47) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4495788 0.85 MAPT (0.47) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4508951 0.83 MAPT (0.51) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4508944 0.83 MAPT (0.51) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4508955 0.83 MAPT (0.51) NAMPTMAPTALDH1A1SMN1; SMN2KMT2A

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-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed