SCHEMBL8715902

SCHEMBL8715902

CC(C(=O)O)N1c2ccccc2Sc2ccccc21.O=C1CCC(=O)N1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.45
HTR1A P08908 1/20 0.45
ADRB3 P13945 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45
NOX1 Q9Y5S8 1/20 0.42
ACHE P22303 2/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 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
SCHEMBL439056 0.87 BCHE (0.56) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL6259923 0.78 BCHE (0.46) BCHEHTR1AADRB3HTR2AHTR2C
Phenoxathiine SCHEMBL27584750 0.78 BCHE (0.47) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL5435400 0.74 BCHE (0.47) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL994533 0.74 KMT2A (0.53) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL6542866 0.73 BCHE (0.56) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL6047333 0.73 KMT2A (0.42) KDM4EGAACASP1CASP7KMT2A
SCHEMBL2595388 0.73 MEN1 (0.76) KMT2AFNTAFNTBPOLB
SCHEMBL6262716 0.73 GAA (0.42) BCHEHTR1AADRB3HTR2AHTR2C
SCHEMBL9332010 0.73 BCHE (0.45) BCHEHTR1AADRB3HTR2AHTR2C

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
US-5795855-A DETERGENTS NOVO NORDISK A/S 1998-08-18 US claimed