SCHEMBL8614780

SCHEMBL8614780

CC(ON)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.58
TDO2 P48775 4/20 0.58
ADRB2 P07550 1/20 0.56
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
AOC3 Q16853 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
CYP2A6 P11509 1/20 0.38
SLC6A4 P31645 1/20 0.38
AGXT P21549 1/20 0.38
BRD4 O60885 1/20 0.38
GABBR2 O75899 2/20 0.37
GABBR1 Q9UBS5 2/20 0.37
FFAR2 O15552 1/20 0.37

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
SCHEMBL17771762 0.78 ADRB2 (0.52) IDO1TDO2ADRB2TSHRMAPK1
SCHEMBL15854056 0.78 ADRB2 (0.52) IDO1TDO2ADRB2TSHRMAPK1
SCHEMBL3086072 0.78 ADRB2 (0.52) IDO1TDO2ADRB2TSHRMAPK1
SCHEMBL20874449 0.77 CA1 (0.47) IDO1TDO2ADRB2BRD4GABBR2
SCHEMBL11781825 0.76 ADRB2 (0.50) IDO1TDO2ADRB2TSHRMAPK1
SCHEMBL29671642 0.76 ADRB2 (0.50) IDO1TDO2ADRB2TSHRMAPK1
SCHEMBL18527236 0.76 ADRB2 (0.56) IDO1TDO2ADRB2TSHRMAPK1
SCHEMBL18527304 0.76 ADRB2 (0.56) IDO1TDO2ADRB2TSHRMAPK1
SCHEMBL18538072 0.76 ADRB2 (0.56) IDO1TDO2ADRB2TSHRMAPK1
SCHEMBL18529050 0.76 ADRB2 (0.56) IDO1TDO2ADRB2TSHRMAPK1

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
EP-0838452-A1 PROCESS FOR PRODUCING N-METHYL-METHOXYIMINOACETAMIDE DERIVATIVES AND INTERMEDIATES THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 1998-04-29 EP disclosed