SCHEMBL13600982

SCHEMBL13600982

COc1ccc(NC(=O)/C=C(\C)c2cc3cccc(OC(C)c4ccccc4)c3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
MMP2 P08253 2/20 0.41
MMP14 P50281 1/20 0.41
RORC P51449 2/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL13600970 0.93 MEN1 (0.46) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13600969 0.93 MEN1 (0.46) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4512222 0.92 MAPT (0.46) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4512225 0.92 MAPT (0.46) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4512228 0.92 MAPT (0.46) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4491605 0.85 MMP1 (0.44) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4491609 0.85 MMP1 (0.44) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4491610 0.85 MMP1 (0.44) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4504773 0.83 RXRA (0.52) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4504776 0.83 RXRA (0.52) MAPTKMT2AMEN1SMN1; SMN2NPC1

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