SCHEMBL21727465

SCHEMBL21727465

Cc1cc(C(F)(CF)C(F)(F)F)cc(C)c1NC(=O)c1cccc(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PTGS1 P23219 6/20 0.52
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
LCK P06239 1/20 0.40
BLK P51451 1/20 0.40
BTK Q06187 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL21727456 0.87 KDM4E (0.53) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2
SCHEMBL1843940 0.85 PTGS1 (0.56) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2
SCHEMBL1820825 0.84 PTGS1 (0.55) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2
SCHEMBL2259335 0.84 PTGS1 (0.55) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2
SCHEMBL408006 0.81 KDM4E (0.62) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2
SCHEMBL1813928 0.80 PTGS1 (0.51) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2
SCHEMBL9789598 0.79 ALDH1A1 (0.68) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2
SCHEMBL3137498 0.78 PTGS1 (0.52) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2
SCHEMBL406940 0.78 PTGS1 (0.51) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2
SCHEMBL404470 0.78 PTGS1 (0.51) KDM4EALDH1A1PTGS1HSD17B10SMN1; SMN2

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-2325165-B1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO INC (JP) 2020-02-19 EP disclosed