SCHEMBL13600970

SCHEMBL13600970

COc1cccc(NC(=O)/C=C(/C)c2cc3cccc(OC(C)c4ccccc4)c3o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
TSHR P16473 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CASR P41180 1/20 0.41
RORC P51449 2/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.41
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL13600969 1.00 MEN1 (0.46) MEN1KMT2AMAPTTSHRMMP1
SCHEMBL13600982 0.93 MAPT (0.46) MEN1KMT2AMAPTTSHRMMP1
SCHEMBL4491609 0.92 MMP1 (0.44) MEN1KMT2AMAPTTSHRMMP1
SCHEMBL4491610 0.92 MMP1 (0.44) MEN1KMT2AMAPTTSHRMMP1
SCHEMBL4491605 0.92 MMP1 (0.44) MEN1KMT2AMAPTTSHRMMP1
SCHEMBL4512228 0.85 MAPT (0.46) MEN1KMT2AMAPTTSHRMMP1
SCHEMBL4512225 0.85 MAPT (0.46) MEN1KMT2AMAPTTSHRMMP1
SCHEMBL4512222 0.85 MAPT (0.46) MEN1KMT2AMAPTTSHRMMP1
SCHEMBL4504773 0.83 RXRA (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4504776 0.83 RXRA (0.52) MEN1KMT2AMAPTNPC1RAB9A

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