SCHEMBL13601005

SCHEMBL13601005

C/C=C/C(=O)NC(C)c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
MAOB P27338 3/20 0.46
MAOA P21397 1/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
FLT3 P36888 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4499439 0.81 ALDH1A1 (0.54) ALDH1A1LMNATHRBMAOBMAOA
SCHEMBL31301099 0.81 ALDH1A1 (0.54) ALDH1A1LMNATHRBMAOBMAOA
SCHEMBL9684715 0.78 ALDH1A1 (0.51) ALDH1A1LMNATHRBMAOBMAOA
SCHEMBL16347541 0.78 SMN1; SMN2 (0.46) ALDH1A1LMNATHRBMAOBMAOA
SCHEMBL4495518 0.77 MAPT (0.53) ALDH1A1LMNAPOLBMAPTMEN1
SCHEMBL13600942 0.77 MAPT (0.53) ALDH1A1LMNAPOLBMAPTMEN1
SCHEMBL9685852 0.76 ALDH1A1 (0.49) ALDH1A1LMNATHRBMAOBMAOA
SCHEMBL28657395 0.74 MAOB (0.48) ALDH1A1LMNATHRBMAOBMAOA
SCHEMBL4518064 0.72 CNR2 (0.48) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL4518068 0.72 CNR2 (0.48) LMNAMAPTMEN1KMT2ANPC1

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