SCHEMBL31080054

SCHEMBL31080054

C=Cc1cc(I)c(N)c(I)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ SIRT1 Q96EB6 1/20 0.35
▸ TSHR P16473 1/20 0.32
▸ TP53 P04637 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL29010477 0.78 ALDH1A1 (0.40) ALDH1A1TSHRTP53TDP1
SCHEMBL21045991 0.74 TTR (0.50) ALDH1A1SIRT1TSHRTP53TDP1
SCHEMBL217938 0.69 ALDH1A1 (0.57) ALDH1A1TSHRTP53TDP1
SCHEMBL3684235 0.69 CYP19A1 (0.46) ALDH1A1TSHRTP53TDP1
SCHEMBL16960433 0.69 ALDH1A1 (0.42) ALDH1A1TSHRTP53TDP1
SCHEMBL22572841 0.69 ALDH1A1 (0.42) ALDH1A1TSHRTP53TDP1
SCHEMBL16953148 0.69 ALDH1A1 (0.42) ALDH1A1TSHRTP53TDP1
SCHEMBL14437646 0.69 CA1 (0.31) CA1CA2CA9
SCHEMBL22991515 0.69 TTR (0.39) ALDH1A1TSHRTP53TDP1
SCHEMBL18677460 0.69 TP53 (0.35) ALDH1A1TP53TDP1

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-2024176672-A1 RADIATION-SENSITIVE COMPOSITION AND PATTERN FORMING METHOD JSR株式会社 2024-08-29 — — WO disclosed
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