SCHEMBL9256023

SCHEMBL9256023

CCCOC(OC(C)c1ccccc1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALOX5 P09917 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.37
FFAR1 O14842 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A3 Q01959 3/20 0.36
DRD3 P35462 2/20 0.36
GPR88 Q9GZN0 2/20 0.36

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
SCHEMBL12807323 0.77 HCAR2 (0.46) LMNAALOX5KMT2AHCAR2CYP1A2
SCHEMBL20538944 0.76 LMNA (0.43) LMNAKMT2AMEN1POLBCYP1A2
SCHEMBL652267 0.76 HTT (0.38) LMNACYP1A2CYP2D6SMN1; SMN2CHRM2
SCHEMBL9256016 0.76 LMNA (0.45) LMNAALOX5KMT2ASMN1; SMN2MAPK1
SCHEMBL2701953 0.75 HTT (0.42) LMNAKMT2AMEN1CYP1A2CYP2D6
SCHEMBL9667401 0.73 POLB (0.47) ALOX5POLBGPR88
SCHEMBL11667108 0.73 CYP1A2 (0.41) LMNAALOX5KMT2AHCAR2CYP1A2
SCHEMBL4561510 0.73 HCAR2 (0.45) LMNAALOX5KMT2AHCAR2CYP1A2
SCHEMBL7035274 0.71 CYP1A2 (0.44) LMNAALOX5HCAR2CYP1A2CYP2D6
SCHEMBL7035272 0.71 CYP1A2 (0.44) LMNAALOX5HCAR2CYP1A2CYP2D6

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-0649418-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES Astra Pharmaceuticals Limited (GB) 1995-04-26 EP disclosed
WO-1993024473-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES FISONS PLC (GB) 1993-12-09 WO disclosed