SCHEMBL10679727

SCHEMBL10679727

O=c1cc(C(F)(F)F)ccn1-c1c(F)cc(C(F)(F)F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
SCD O00767 1/20 0.35
MCHR1 Q99705 2/20 0.34
MAT2A P31153 3/20 0.33
PDE2A O00408 2/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
DAO P14920 1/20 0.33
HTT P42858 1/20 0.33
IDO1 P14902 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM5 P08912 1/20 0.32

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
SCHEMBL9774917 0.91 KCNH2 (0.38) SCDMCHR1MAT2APDE2AEGFR
SCHEMBL10684431 0.89 HSD11B1 (0.36) MCHR1MAT2AHTT
SCHEMBL9774765 0.84 CA2 (0.37) CA2SCDMCHR1MAT2AEGFR
SCHEMBL10679158 0.81 GABRA2 (0.38) CA2MCHR1PDE2AHTT
SCHEMBL10676608 0.81 PARK7 (0.35) CA2SCDMCHR1EGFRLMNA
SCHEMBL9774914 0.80 CA2 (0.34) CA2SCDMCHR1MAT2AEGFR
SCHEMBL10059399 0.78 MCHR1 (0.43) CA2MCHR1HTTSMN1; SMN2
SCHEMBL10059743 0.77 SMN1; SMN2 (0.56) SCDLMNAHTTSMN1; SMN2
SCHEMBL9774928 0.76 GABRA2 (0.38) SCDPDE2AHTTSMN1; SMN2
SCHEMBL10676569 0.76 MAPT (0.36) PDE2ALMNAGAADAOIDO1

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
US-4725607-A MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-16 US claimed
EP-0216541-A1 Aryl pyridones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-01 EP claimed
US-4725607-A MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-16 US disclosed
EP-0216541-A1 Aryl pyridones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-01 EP disclosed