SCHEMBL9567386

SCHEMBL9567386

N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c(C(F)(F)C(F)(F)F)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.37
NISCH Q9Y2I1 1/20 0.35
ADORA1 P30542 1/20 0.35
SCN10A Q9Y5Y9 5/20 0.34
KCNH2 Q12809 3/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
TRPA1 O75762 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
PDE2A O00408 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KDM5A P29375 1/20 0.33
IDO1 P14902 1/20 0.33
NPY5R Q15761 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 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
SCHEMBL9567377 0.85 ADORA1 (0.37) DHODHNISCHADORA1SCN10AKCNH2
SCHEMBL10591906 0.84 DHODH (0.40) DHODHNISCHADORA1SCN10AKCNH2
SCHEMBL10591159 0.83 ADORA1 (0.39) DHODHNISCHADORA1SCN10AKCNH2
SCHEMBL9567399 0.83 ALDH1A1 (0.41) IDO1MAPTKDM4EGLAMEN1
SCHEMBL9567308 0.83 KIF11 (0.41) DHODHNISCHADORA1KCNH2SCN2A
SCHEMBL9393467 0.80 KDM4E (0.34) DHODHPDE2APDE4BPDE10AMAPT
SCHEMBL9389357 0.77 KIF11 (0.35) PDE10AMAPTKDM4EGLAMEN1
SCHEMBL9567351 0.76 ALDH1A1 (0.40) IDO1MAPTKDM4EGLAMEN1
SCHEMBL9840555 0.73 ADORA1 (0.40) DHODHNISCHADORA1SCN10AKCNH2
SCHEMBL9388107 0.72 KDM4E (0.36) PDE10AMAPTKDM4EGLAMEN1

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-0530147-A1 3-Cyano-2-phenyl-pyrroles as pesticides CIBA-GEIGY AG (CH) 1993-03-03 EP claimed
EP-0530147-A1 3-Cyano-2-phenyl-pyrroles as pesticides CIBA-GEIGY AG (CH) 1993-03-03 EP disclosed