SCHEMBL8304491

SCHEMBL8304491

Cc1cc(C#N)ccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.46
TRPA1 O75762 1/20 0.46
SCN9A Q15858 1/20 0.46
FNTB P49356 4/20 0.44
FNTA P49354 3/20 0.44
HRH1 P35367 2/20 0.44
HRH2 P25021 1/20 0.44
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PGGT1B P53609 2/20 0.43
TDP2 O95551 1/20 0.42
STS P08842 1/20 0.41
DHODH Q02127 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GPR3 P46089 2/20 0.39
NTRK1 P04629 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL14499531 0.83 S1PR1 (0.41) SCN5ATRPA1SCN9AFNTBHRH1
SCHEMBL7229011 0.81 HRH2 (0.47) HRH1HRH2KDM1AMAOBSTS
SCHEMBL5098826 0.81 FFAR4 (0.52) SCN5ATRPA1SCN9AFNTBFNTA
SCHEMBL7634772 0.81 ALDH1A1 (0.48) HRH1HRH2PDE3BPDE3ACYP11B1
SCHEMBL16941056 0.80 HRH2 (0.52) HRH1HRH2KDM1ASTSCYP11B1
SCHEMBL9952009 0.80 KIF11 (0.61) KDM1AMAOBCYP11B1CYP11B2
SCHEMBL16727887 0.80 GPR3 (0.55) SCN5AGPR3
SCHEMBL5099610 0.79 KDM1A (0.50) SCN5ATRPA1SCN9AFNTBFNTA
SCHEMBL4631783 0.79 SCN5A (0.41) SCN5ATRPA1SCN9AKDM1ATDP2
SCHEMBL5098839 0.79 FNTB (0.45) SCN5ATRPA1SCN9AFNTBFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed