SCHEMBL17514835

SCHEMBL17514835

Cc1cc(F)c(-c2[c]cccc2C(F)(F)F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
RAC1 P63000 1/20 0.31
PAK1 Q13153 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL17514475 0.87
SCHEMBL17515018 0.84 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL2049474 0.83 TRPA1 (0.36) HSD11B1
SCHEMBL17514620 0.81 ACHE (0.32)
SCHEMBL17514464 0.80 KIF11 (0.41) CYP3A4
SCHEMBL11302129 0.78 HSD11B1 (0.30) HSD11B1
SCHEMBL17514708 0.77 RAPGEF4 (0.32)
SCHEMBL2431532 0.72 KIF11 (0.38) CYP11B1CYP11B2
SCHEMBL2437985 0.71 HSD11B1 (0.38) HSD11B1
SCHEMBL26153574 0.71 MEN1 (0.38) HSD11B1MEN1CYP1A2CYP3A4CYP2D6

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