SCHEMBL9054571

SCHEMBL9054571

CC(C(=O)O)N1c2ccccc2Sc2ccc(Br)c(Br)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.43
BCHE P06276 12/20 0.43
HTR1A P08908 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
HTR6 P50406 1/20 0.43
GFER P55789 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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 0.82 BCHE (0.56) NOX1BCHEHTR1AADRB3HTR2A
SCHEMBL5435400 0.80 BCHE (0.47) NOX1BCHEHTR1AADRB3HTR2A
Phenoxathiine SCHEMBL27584750 0.73 BCHE (0.47) NOX1BCHEHTR1AADRB3HTR2A
SCHEMBL8715902 0.71 BCHE (0.45) NOX1BCHEHTR1AADRB3HTR2A
SCHEMBL9332010 0.71 BCHE (0.45) NOX1BCHEHTR1AADRB3HTR2A
SCHEMBL9331523 0.71 BCHE (0.45) NOX1BCHEHTR1AADRB3HTR2A
SCHEMBL28835790 0.71 HDAC6 (0.42) NOX1BCHEACHELMNAMAPT
SCHEMBL14535298 0.69 NOX1 (0.47) NOX1BCHEHTR1AADRB3HTR2A
SCHEMBL6262716 0.68 GAA (0.42) NOX1BCHEHTR1AADRB3HTR2A
SCHEMBL6542866 0.68 BCHE (0.56) NOX1BCHEHTR1AADRB3HTR2A

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
WO-1996006930-A1 COPRINACEAE LACCASES NOVO NORDISK A/S (DK) 1996-03-07 WO disclosed