SCHEMBL1908385

SCHEMBL1908385

Cc1nc(Cl)c(-c2c(F)cc(C#N)cc2F)n1-c1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
BRD9 Q9H8M2 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM5 P41594 2/20 0.32
KCNH2 Q12809 1/20 0.32
HPGD P15428 1/20 0.31
AR P10275 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
CYP1A2 P05177 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1076165 0.91 POLB (0.36) EGLN2PIK3CDPIK3CAGRM1GRM5
SCHEMBL1900602 0.86 TDP2 (0.42) EGLN2PIK3CDGRM5HPGDCYP1A2
SCHEMBL1074241 0.81 SMN1; SMN2 (0.36) BRD9HPGDCYP1A2USP2HSD17B10
SCHEMBL1902028 0.80 GRM5 (0.45) EGLN2PIK3CDPIK3CAGRM5AR
SCHEMBL1901532 0.80 GRM5 (0.36) EGLN2GRM5KCNJ6KCNJ5KCNJ3
SCHEMBL1904366 0.77 ALDH1A1 (0.35) EGLN2PIK3CDPIK3CAGRM5HPGD
SCHEMBL1074256 0.77 GRM1 (0.43) BRD9GRM1KCNH2
SCHEMBL1074623 0.77 PIK3CA (0.41) PIK3CAGRM1KCNH2
SCHEMBL1074860 0.76 POLB (0.36) EGLN2PIK3CAGRM1GRM5KCNH2
SCHEMBL19967260 0.75 HTT (0.41) PIK3CDPIK3CAGRM5KCNH2HPGD

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