SCHEMBL8764646

SCHEMBL8764646

CC(C)Nc1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
HIF1A Q16665 1/20 0.51
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP2A6 P11509 2/20 0.41
FLT3 P36888 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MGLL Q99685 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL1419067 0.81 KDM4E (0.45) CYP2D6HIF1AMAOBMAOAALDH1A1
SCHEMBL456821 0.79 ALDH1A1 (0.62) MAOBMAOAALDH1A1LMNATHRB
SCHEMBL456822 0.79 ALDH1A1 (0.62) MAOBMAOAALDH1A1LMNATHRB
SCHEMBL28643561 0.79 CYP2A6 (0.47) CYP2D6HIF1AMAOBMAOAALDH1A1
Hydrochloric Acid SCHEMBL1116447 0.78 ALDH1A1 (0.61) MAOBMAOAALDH1A1LMNATHRB
SCHEMBL162882 0.77 NPC1 (0.52) CYP2D6HIF1AMAOBMAOAALDH1A1
SCHEMBL7699924 0.75 FLT3 (0.48) CYP2D6HIF1AMAOBALDH1A1HSD17B10
SCHEMBL12626870 0.74 CYP2D6 (0.46) CYP2D6HIF1AMAOBMAOAALDH1A1
SCHEMBL178528 0.74 CYP2D6 (0.50) CYP2D6HIF1AMAOBMAOAALDH1A1
SCHEMBL18232971 0.74 MAOA (0.46) CYP2D6HIF1AMAOBMAOAALDH1A1

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
EP-0775129-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1997-05-28 EP disclosed
WO-1996005190-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1996-02-22 WO disclosed