SCHEMBL1900183

SCHEMBL1900183

N#Cc1cc(F)c(-c2c(Cl)nc(Br)n2-c2ccc(F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
PGR P06401 1/20 0.34
GRM5 P41594 4/20 0.34
CYP1A2 P05177 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
TDP2 O95551 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
FADS1 O60427 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL1904366 0.90 ALDH1A1 (0.35) KDM4EGRM5PIK3CDPIK3CAEGLN2
SCHEMBL1905621 0.87 TDP2 (0.38) KDM4EPGRPIK3CDTDP2EGLN2
SCHEMBL1905559 0.80 KCNH2 (0.35) PIK3CAMAPTKCNH2
SCHEMBL1076165 0.78 POLB (0.36) KDM4EGRM5PIK3CDPIK3CATDP2
SCHEMBL1075642 0.74 EGLN2 (0.33) KDM4EEGLN2MEN1KMT2A
SCHEMBL1906392 0.74 TDP2 (0.39) KDM4EGRM5PIK3CDPIK3CATDP2
SCHEMBL1908385 0.74 EGLN2 (0.34) GRM5CYP1A2PIK3CDPIK3CAEGLN2
SCHEMBL1902028 0.73 GRM5 (0.45) TP53GRM5CYP1A2PIK3CDPIK3CA
SCHEMBL1908033 0.73 TDP2 (0.41) TDP2EGLN2MEN1LMNAHTT
SCHEMBL1900602 0.72 TDP2 (0.42) KDM4EPGRGRM5CYP1A2PIK3CD

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