SCHEMBL17514977

SCHEMBL17514977

[CH2]Cc1c(F)cc(C#N)cc1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.32
ALB P02768 2/20 0.32
TRPV4 Q9HBA0 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 2/20 0.32
EGLN2 Q96KS0 2/20 0.32
KIF11 P52732 1/20 0.32
VCAM1 P19320 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
SCHEMBL13787902 0.77 LOXL2 (0.41) TTRALBTRPV4MEN1KMT2A
SCHEMBL17864267 0.77 TTR (0.37) TTRALBTRPV4MEN1KMT2A
SCHEMBL20967889 0.77 CYP11B1 (0.33) TTRALBTRPV4MEN1KMT2A
SCHEMBL603677 0.77 TTR (0.37) TTRALBTRPV4MEN1KMT2A
SCHEMBL536576 0.77 EPAS1 (0.37) TTRALBTRPV4MEN1KMT2A
SCHEMBL12184920 0.77 CYP2A6 (0.41) TTRALBTRPV4MEN1KMT2A
Hydrochloric Acid SCHEMBL5047133 0.76 LOXL2 (0.40) TTRALBTRPV4MEN1KMT2A
SCHEMBL29337045 0.76 TAAR1 (0.54) TTRALBTRPV4MEN1KMT2A
SCHEMBL27847324 0.74 CYP19A1 (0.35) TTRALBTRPV4MEN1KMT2A
SCHEMBL3750074 0.73 TRPV4 (0.36) TTRALBTRPV4MEN1KMT2A

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