SCHEMBL9841199

SCHEMBL9841199

N#CC(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
FPR2 P25090 1/20 0.42
MAOB P27338 1/20 0.41
EGFR P00533 1/20 0.41
TSHR P16473 1/20 0.41
KMO O15229 2/20 0.40
DPP4 P27487 2/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CCR2 P41597 1/20 0.40
CTSS P25774 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL4439324 0.79 PNMT (0.53) PNMTPPARGPPARAFPR2TSHR
SCHEMBL3696588 0.79 PNMT (0.41) PNMTMAOBTSHRDPP4FAP
SCHEMBL9781682 0.78 KMO (0.56) PNMTPPARGPPARAFPR2TSHR
SCHEMBL2164417 0.76 KDM6B (0.61) PNMTPPARGPPARAFPR2TSHR
SCHEMBL2164411 0.76 KDM6B (0.61) PNMTPPARGPPARAFPR2TSHR
SCHEMBL434793 0.76 SLC7A5 (0.55) EGFRCTSS
SCHEMBL4419129 0.75 PNMT (0.53) PNMTDPP4FAPDPP8DPP9
SCHEMBL9555774 0.75 CYP1A2 (0.55)
SCHEMBL1344165 0.75 CYP1A2 (0.55)
SCHEMBL5130053 0.75 PNMT (0.58) PNMTPPARGPPARAFPR2MAOB

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-0428434-A2 Compounds of aromatic amines and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1991-05-22 EP disclosed