SCHEMBL17514949

SCHEMBL17514949

N#Cc1cc(F)c(-c2cc(F)[c]c(F)c2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KIF11 P52732 1/20 0.33
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
PGR P06401 2/20 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
SCHEMBL17514563 0.88 ESR1 (0.33) EGLN2ESR1ESR2
SCHEMBL17514591 0.81 ESR1 (0.36) EGLN2ESR1ESR2KIF11CYP11B1
SCHEMBL260779 0.80 TTR (0.37) KIF11
SCHEMBL17514859 0.78 EGLN2 (0.35) EGLN2
SCHEMBL17514814 0.78 EGLN2 (0.35) EGLN2ESR1ESR2KIF11CYP11B1
SCHEMBL17514982 0.76
SCHEMBL19917498 0.75 KIF11 (0.50) EGLN2KIF11CYP11B1CYP11B2
SCHEMBL10895537 0.74 ALDH1A1 (0.50) EGLN2ESR1ESR2KIF11CYP11B1
SCHEMBL19903572 0.73 KIF11 (0.44) EGLN2KIF11CYP11B1CYP11B2
SCHEMBL17514801 0.72 EGLN2 (0.38) EGLN2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed