SCHEMBL13508307

SCHEMBL13508307

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1NC(=O)c1ccc(F)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
KCNQ3 O43525 3/20 0.38
KCNQ2 O43526 3/20 0.38
KCNE1 P15382 2/20 0.38
KCNQ1 P51787 2/20 0.38
TRPA1 O75762 1/20 0.37
WDR5 P61964 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
ADCY8 P40145 1/20 0.36
ADCY1 Q08828 1/20 0.36
KIT P10721 1/20 0.36
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1766680 0.88 MAPT (0.41) PTGS1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29740334 0.88 MAPT (0.41) PTGS1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL19240497 0.83 PTGS1 (0.54) PTGS1GAARAB9AMEN1HTT
SCHEMBL13508178 0.83 IRAK4 (0.45) WDR5RAB9ACYP1A2CYP2C19MEN1
SCHEMBL13508212 0.82 HDAC2 (0.54) PTGS1GAAHDAC1CYP1A2CYP2C19
SCHEMBL11987619 0.82 PKM (0.43) PTGS1KITGAAHDAC1MAPT
SCHEMBL24588326 0.81 HDAC1 (0.40) PTGS1TRPA1WDR5HDAC1RAB9A
SCHEMBL3030068 0.79 MAPT (0.41) PTGS1KITGAARAB9AMEN1
SCHEMBL1275837 0.79 KCNQ3 (0.44) KCNQ3KCNQ2KCNE1KCNQ1TRPA1
SCHEMBL12440038 0.79 PTGS1 (0.43) PTGS1TAS1R3TAS1R1TAS1R2RAB9A

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
WO-2022135447-A1 CYANO-SUBSTITUTED BENZAMIDE COMPOUND AND APPLICATION THEREOF 南通泰禾化工股份有限公司 2022-06-30 WO disclosed
WO-2010018714-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT 三井化学アグロ株式会社 (JP) 2010-02-18 WO disclosed