SCHEMBL11243086

SCHEMBL11243086

CN(C(=O)O)c1cccc(OC(=O)Nc2cccc(F)c2F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
FAAH O00519 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 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
SCHEMBL8983609 0.83 KMT2A (0.64) RAB9ANPC1NPSR1BCHEACHE
SCHEMBL10670226 0.81 BCHE (0.58) RAB9ANPC1NPSR1BCHEACHE
SCHEMBL10675015 0.81 BCHE (0.64) RAB9ANPC1NPSR1BCHEACHE
SCHEMBL1897287 0.80 NPC1 (0.69) RAB9ANPC1NPSR1KMT2AALDH1A1
SCHEMBL11663128 0.78 BCHE (0.55) RAB9ANPC1NPSR1BCHEACHE
SCHEMBL10666880 0.78 BCHE (0.55) RAB9ANPC1NPSR1BCHEACHE
SCHEMBL8419739 0.78 ALDH1A1 (0.66) RAB9ANPC1BCHEACHEKMT2A
SCHEMBL8983603 0.77 BCHE (0.66) RAB9ANPC1BCHEACHEKMT2A
SCHEMBL11363103 0.73 ACHE (0.50) BCHEACHEKMT2AALDH1A1KDM4E
SCHEMBL11337301 0.72 FAAH (0.51) BCHEACHEFAAHCYP1A2

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-0019759-B1 N-ARYLTHIOLCARBAMATES, HERBICIDES CONTAINING THEM AND PROCESS FOR COMBATING UNDESIRABLE PLANT GROWTH THEREWITH BASF Aktiengesellschaft (DE) 1982-02-10 EP disclosed