SCHEMBL4558531

SCHEMBL4558531

NC(=O)c1c(C(F)(F)F)ccnc1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.41
PARP10 Q53GL7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.39
P2RY1 P47900 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 1/20 0.39
FPR2 P25090 1/20 0.39
SCN9A Q15858 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTNNB1 P35222 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8568267 0.78 ALDH1A1 (0.48) ALDH1A1TDP1RAB9APARP10L3MBTL1
SCHEMBL6266210 0.75 TRPV1 (0.44) ALDH1A1KMT2ASCN9AHTTHSD17B10
SCHEMBL4558527 0.75 HSD17B10 (0.51) PARP10L3MBTL1MAPTKMT2AHTT
SCHEMBL28752345 0.74 ALDH1A1 (0.47) ALDH1A1TDP1RAB9APARP10L3MBTL1
SCHEMBL7043557 0.72 HTT (0.40) MAOBKMT2AHTTHSD17B10
SCHEMBL8129823 0.72 ALDH1A1 (0.59) ALDH1A1TDP1RAB9AMAPTATM
SCHEMBL28676904 0.71 KMO (0.42) ALDH1A1L3MBTL1MAOBMAPTKDM4E
SCHEMBL8476094 0.71 ALDH1A1 (0.51) ALDH1A1TDP1RAB9APARP10KMT2A
SCHEMBL28182603 0.71 KMT2A (0.38) ALDH1A1L3MBTL1MAOBKMT2AHTT
SCHEMBL27592637 0.71 TYK2 (0.38) S1PR3RAB9AKMT2AHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094093-A2 HERBICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2009-09-02 EP claimed
WO-2008071377-A2 HERBICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2008-06-19 WO claimed
WO-2023221918-A1 HERBICIDAL MIXTURE, HERBICIDAL COMPOSITION, METHOD, USE, AND KITS FOR CONTROLLING UNDESIRABLE VEGETATION ADAMA AGAN LTD. (IL) 2023-11-23 WO disclosed
EP-2094093-A2 HERBICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2009-09-02 EP disclosed
WO-2008071377-A2 HERBICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2008-06-19 WO disclosed