SCHEMBL9567355

SCHEMBL9567355

CCOCn1c(-c2ccc(OC(F)(F)F)cc2)c(C#N)c(Br)c1C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.32
DHODH Q02127 1/20 0.32
TSHR P16473 1/20 0.32
CACNA2D1 P54289 1/20 0.31
NRP1 O14786 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9567333 0.88 NRP1 (0.35) ADORA1DHODHTSHRCACNA2D1NRP1
SCHEMBL9567374 0.87 RXFP1 (0.34) KDM4EALDH1A1
SCHEMBL9567356 0.87 KIF11 (0.33)
SCHEMBL9389270 0.83
SCHEMBL9389300 0.83
SCHEMBL9567326 0.81 RXFP1 (0.32) KDM4EALDH1A1
SCHEMBL28742523 0.79 MAPK14 (0.37) ADORA1KDM4EALDH1A1
SCHEMBL5813013 0.79 KIF11 (0.35) ADORA1ALDH1A1
SCHEMBL9389608 0.78 DRD2 (0.34)
SCHEMBL9389586 0.78 ALPL (0.31)

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