SCHEMBL1901532

SCHEMBL1901532

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
EGLN2 Q96KS0 2/20 0.34
GLA P06280 1/20 0.34
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
KDM1A O60341 2/20 0.33
HPD P32754 2/20 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
SCHEMBL1902028 0.91 GRM5 (0.45) GRM5EGLN2GLA
SCHEMBL1904865 0.86 EGLN2 (0.34) GRM5EGLN2GLAKDM1AHPD
SCHEMBL1076165 0.81 POLB (0.36) GRM5EGLN2
SCHEMBL1908385 0.80 EGLN2 (0.34) GRM5EGLN2KCNJ6KCNJ5KCNJ3
SCHEMBL1900602 0.78 TDP2 (0.42) GRM5EGLN2ALDH1A1
SCHEMBL1904366 0.76 ALDH1A1 (0.35) GRM5EGLN2KCNJ6KCNJ5KCNJ3
SCHEMBL19967260 0.74 HTT (0.41) GRM5ALDH1A1
SCHEMBL1074771 0.69 POLB (0.39) GRM5ALDH1A1
SCHEMBL1900183 0.68 KDM4E (0.35) GRM5EGLN2
SCHEMBL18707647 0.68 NOTUM (0.39) GLAHPDALDH1A1

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