SCHEMBL30973191

SCHEMBL30973191

[2H]c1c(C=C)cc(I)c(O)c1I

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALB P02768 1/20 0.34
NAT1 P18440 4/20 0.34
APP P05067 1/20 0.33
TRPA1 O75762 1/20 0.32
ERN1 O75460 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
RPS6KA3 P51812 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21045991 0.84 TTR (0.50) TTRMEN1LMNAHTTKMT2A
SCHEMBL22991663 0.77 TTR (0.42) TTRALBCYP1A2CYP2C9
SCHEMBL22991515 0.74 TTR (0.39) TTRMEN1LMNAHTTKMT2A
SCHEMBL22991659 0.71 APP (0.59) MEN1LMNAHTTKMT2AAPP
SCHEMBL29696089 0.71 APP (0.59) MEN1LMNAHTTKMT2AAPP
SCHEMBL26740999 0.68 APP (0.41) TTRMEN1KMT2AAPPTRPA1
SCHEMBL26617169 0.67 KDM4E (0.49) MEN1LMNAKMT2AAPPTRPA1
SCHEMBL22991478 0.66 TTR (0.43) TTRMEN1LMNAHTTKMT2A
SCHEMBL1005116 0.66 ERN1 (0.52) TTRMEN1LMNAHTTKMT2A
SCHEMBL22991353 0.65 TRPA1 (0.52) TTRMEN1LMNAKMT2AAPP

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-2024135708-A1 METHOD FOR PRODUCING COMPOUND, POLYMER, COMPOSITION, AND PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2024-06-27 WO disclosed