SCHEMBL1900602

SCHEMBL1900602

Cc1nc(Cl)c(-c2c(F)cc(C#N)cc2F)n1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.42
EGLN2 Q96KS0 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GRM5 P41594 2/20 0.35
PIK3CD O00329 2/20 0.35
PIK3R1 P27986 1/20 0.35
PGR P06401 1/20 0.34
NOTUM Q6P988 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAT2A P31153 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1074563 0.88 NOTUM (0.37) PTGS2NOTUMHPGDKDM4ECYP1A2
SCHEMBL18707647 0.87 NOTUM (0.39) PTGS2NOTUMHPGDKDM4ECYP1A2
SCHEMBL1905621 0.86 TDP2 (0.38) TDP2EGLN2PTGS1PTGS2PIK3CD
SCHEMBL1908385 0.86 EGLN2 (0.34) EGLN2GRM5PIK3CDHPGDCYP1A2
SCHEMBL1076165 0.84 POLB (0.36) TDP2EGLN2GRM5PIK3CDKDM4E
SCHEMBL1907768 0.84 HSD17B10 (0.39) NOTUMHPGDKDM4ECYP1A2CYP2D6
SCHEMBL1904874 0.84 TDP2 (0.40) TDP2EGLN2PTGS1PTGS2GRM5
SCHEMBL1908180 0.83 GAA (0.35) TDP2PTGS1PTGS2GRM5HPGD
SCHEMBL1081059 0.82 SMN1; SMN2 (0.41) NOTUMHPGDKDM4ECYP1A2CYP2D6
SCHEMBL1902028 0.82 GRM5 (0.45) EGLN2GRM5PIK3CDCYP1A2

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