SCHEMBL4479895

SCHEMBL4479895

NC(=O)c1ncccc1Oc1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.49
NFE2L2 Q16236 1/20 0.48
P2RY1 P47900 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOTUM Q6P988 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.40
MAOB P27338 1/20 0.40
RBP4 P02753 1/20 0.39
TTR P02766 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL1570557 0.81 CTNNB1 (0.45) SCDNFE2L2SMN1; SMN2CNR2MAOB
Hydrochloric Acid SCHEMBL25226224 0.80 CTNNB1 (0.44) SCDNFE2L2SMN1; SMN2CNR2MAOB
SCHEMBL286831 0.78 SMN1; SMN2 (0.46) SCDNFE2L2SMN1; SMN2USP2KMT2A
SCHEMBL28109669 0.77 CTNNB1 (0.57) SLC6A3RXRARXRBRXRGKMT2A
SCHEMBL15142683 0.77 SMN1; SMN2 (0.45) SMN1; SMN2RXRARXRBRXRGUSP2
Trifluoroacetic Acid SCHEMBL23202684 0.77 L3MBTL1 (0.43) SCDNFE2L2SMN1; SMN2CNR2MAOB
SCHEMBL726400 0.77 CTNNB1 (0.57) SMN1; SMN2USP2KMT2A
SCHEMBL8441797 0.76 KMT2A (0.60) P2RY1SMN1; SMN2USP2KMT2A
SCHEMBL17506267 0.75 TRPV1 (0.46) SCDNFE2L2CNR2
SCHEMBL1685381 0.74 LTA4H (0.46) P2RY1HTR1ASLC6A2SLC6A4SLC6A3

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 2 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