SCHEMBL13600930

SCHEMBL13600930

C/C=C/C(=O)Nc1c(C(=O)OCC)oc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
KDM4E B2RXH2 13/20 0.67
NPSR1 Q6W5P4 3/20 0.67
MAPT P10636 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
ALDH1A1 P00352 10/20 0.66
TSHR P16473 8/20 0.66
SMN1; SMN2 Q16637 3/20 0.62
HSD17B10 Q99714 9/20 0.61
HPGD P15428 6/20 0.61
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
USP2 O75604 1/20 0.60
CYP2C9 P11712 1/20 0.60
HTT P42858 2/20 0.58
GAA P10253 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL13600934 0.87 LMNA (0.65) LMNAKDM4ENPSR1MAPTL3MBTL1
SCHEMBL4496337 0.82 SMN1; SMN2 (0.63) LMNAKDM4EMAPTALDH1A1TSHR
SCHEMBL29709840 0.79 KDM4E (0.74) LMNAKDM4ENPSR1MAPTL3MBTL1
SCHEMBL18703057 0.79 KDM4E (0.74) LMNAKDM4ENPSR1MAPTL3MBTL1
SCHEMBL5567052 0.75 LMNA (0.64) LMNAKDM4ENPSR1MAPTL3MBTL1
SCHEMBL719242 0.75 KDM4E (0.78) LMNAKDM4ENPSR1MAPTL3MBTL1
SCHEMBL4503406 0.74 KDM4E (0.67) LMNAKDM4ENPSR1MAPTL3MBTL1
SCHEMBL13600918 0.74 LMNA (0.62) LMNAKDM4ENPSR1MAPTL3MBTL1
SCHEMBL20866638 0.74 NPSR1 (0.64) LMNAKDM4ENPSR1MAPTL3MBTL1
SCHEMBL4775716 0.74 KDM4E (0.71) LMNAKDM4ENPSR1MAPTL3MBTL1

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