SCHEMBL3627670

SCHEMBL3627670

FC(C(F)(F)F)C(F)(F)COc1ncnc(-n2cncn2)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP19A1 P11511 1/20 0.31
PIM1 P11309 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 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
SCHEMBL3626877 0.88 CYP17A1 (0.39) KMT2AMEN1
SCHEMBL3626936 0.83 ACACB (0.30)
SCHEMBL3616440 0.83 ACACB (0.30)
SCHEMBL13140082 0.83 EDNRB (0.34) SLC9A1LMNAKMT2AALDH1A1HPGD
SCHEMBL3624296 0.82
SCHEMBL3625635 0.82 GPR119 (0.33)
SCHEMBL3618650 0.82
SCHEMBL3626099 0.80
SCHEMBL3624556 0.80 MAPK1 (0.34)
SCHEMBL3625893 0.80

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-2010119878-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed