SCHEMBL8539119

SCHEMBL8539119

CNC(=O)C(=NOC)c1ccccc1C1ON=C1Cc1ccc(C2CCCc3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 2/20 0.35
GID4 Q8IVV7 1/20 0.35
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
TAS1R2 Q8TE23 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8539630 0.95 HAO1 (0.34) HAO1MAPK1MAPK14ALDH1A1TAS1R3
SCHEMBL8535513 0.88 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2
SCHEMBL8537723 0.88 HAO1 (0.38) HAO1MAPK1MAPK14ALDH1A1GID4
SCHEMBL8529479 0.79 MAPK1 (0.47) HAO1MAPK1MAPK14ALDH1A1GID4
SCHEMBL8528118 0.73 HIF1A (0.46) HAO1MAPK1MAPK14KDM4E
SCHEMBL8526565 0.73 KMT2A (0.42) HAO1MAPK1MAPK14GID4TAS1R3
SCHEMBL8821308 0.69 HAO1 (0.36) HAO1MAPK1MAPK14ALDH1A1
SCHEMBL8589528 0.67 MAPK1 (0.33) HAO1MAPK1MAPK14
SCHEMBL8589531 0.67 MAPK1 (0.33) HAO1MAPK1MAPK14
SCHEMBL8529014 0.66 MAPK1 (0.38) HAO1MAPK1MAPK14ALDH1A1GID4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed