SCHEMBL29860175

SCHEMBL29860175

CCOC(=O)CN(CC(=O)OCC)c1c(Br)cccc1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NLRP3 Q96P20 1/20 0.32
PPARG P37231 1/20 0.32
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIN1 Q13526 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
TYMS P04818 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL4404209 0.83 LMNA (0.35) KDM4ELMNAPKMALDH1A1CYP1A2
SCHEMBL3194093 0.83 TDP1 (0.38) KDM4ELMNAPKMALDH1A1SMN1; SMN2
SCHEMBL29860185 0.83 TDP1 (0.38) KDM4ELMNAPKMALDH1A1SMN1; SMN2
SCHEMBL393364 0.81 AR (0.36) KDM4ELMNAPKMALDH1A1CYP1A2
SCHEMBL3220562 0.80 KDM4E (0.38) KDM4ELMNAPKMALDH1A1SMN1; SMN2
SCHEMBL17063079 0.79 ALDH1A1 (0.34) KDM4ELMNAALDH1A1CYP1A2HTT
SCHEMBL393365 0.79 ALDH1A1 (0.41) KDM4ELMNAPKMALDH1A1HTT
SCHEMBL29657712 0.77 KDM4E (0.34) KDM4ELMNAPKMALDH1A1HTT
SCHEMBL327196 0.77 KDM4E (0.34) KDM4ELMNAPKMALDH1A1HTT
Urethane SCHEMBL4535413 0.77 KDM4E (0.40) KDM4ELMNAPKMALDH1A1CYP1A2

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-2022209858-A1 UV RADIATION SENSING MEMBER AND UV RADIATION SENSING KIT 富士フイルム株式会社 2022-10-06 WO disclosed