SCHEMBL1904865

SCHEMBL1904865

Cc1ccc(-n2c(C)nc(Br)c2-c2c(F)cc(C#N)cc2F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.34
GLA P06280 1/20 0.34
KDM1A O60341 2/20 0.33
HPD P32754 2/20 0.32
GRM5 P41594 1/20 0.32
PDE4B Q07343 1/20 0.31
THRB P10828 1/20 0.31
USP14 P54578 1/20 0.31
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
SCHEMBL1901532 0.86 GRM5 (0.36) EGLN2GLAKDM1AHPDGRM5
SCHEMBL1902028 0.76 GRM5 (0.45) EGLN2GLAGRM5
SCHEMBL1904366 0.69 ALDH1A1 (0.35) EGLN2KDM1AGRM5ALDH1A1
SCHEMBL1906392 0.68 TDP2 (0.39) EGLN2GRM5ALDH1A1
SCHEMBL17950339 0.66 ALDH1A1 (0.39) EGLN2KDM1AUSP14ALDH1A1
SCHEMBL1076165 0.66 POLB (0.36) EGLN2GRM5
SCHEMBL1908385 0.65 EGLN2 (0.34) EGLN2GRM5
SCHEMBL23245257 0.64 ALDH1A1 (0.45) EGLN2THRBUSP14ALDH1A1
SCHEMBL10895537 0.64 ALDH1A1 (0.50) EGLN2GLAKDM1AALDH1A1
SCHEMBL1900602 0.64 TDP2 (0.42) EGLN2GRM5ALDH1A1

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-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed