SCHEMBL21840823

SCHEMBL21840823

CCC(C)c1cc2c(c(C(C)CC)c1S(N)(=O)=O)C(=O)c1cc(S(N)(=O)=O)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ HK1 P19367 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ PKM P14618 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ CA1 P00915 9/20 0.34
▸ CA2 P00918 9/20 0.34
▸ CA7 P43166 7/20 0.34
▸ CA14 Q9ULX7 7/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ PARG Q86W56 1/20 0.33

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
SCHEMBL27171466 0.70 TDP2 (0.40) TDP2NSD2HK1PAX8PKM
SCHEMBL27171462 0.69 TDP2 (0.43) TDP2NSD2HK1PAX8PKM
SCHEMBL18776590 0.68 TSHR (0.50) PKMCA1CA2CA7CA14
SCHEMBL20885032 0.68 CA2 (0.42) CA1CA2CA7CA14ALDH1A1
SCHEMBL29902406 0.67 PKM (0.62) TDP2NSD2HK1PAX8PKM
SCHEMBL7339146 0.67 TDP2 (0.67) TDP2NSD2HK1PAX8PKM
SCHEMBL10775524 0.67 TDP2 (0.67) TDP2NSD2HK1PAX8PKM
SCHEMBL11846741 0.66 MAPT (0.42) PKMPOLBALDH1A1MEN1TSHR
SCHEMBL20567212 0.65 TDP2 (0.59) TDP2NSD2HK1PAX8PKM
SCHEMBL21840826 0.64 CA1 (0.43) TDP2NSD2HK1PAX8PKM

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
US-11512204-B2 Squarylium dye and composition containing same TOYO INK SC HOLDINGS CO., LTD. (JP) 2022-11-29 — — US disclosed
US-20200115556-A1 SQUARYLIUM DYE AND COMPOSITION CONTAINING SAME TOYO INK SC HOLDINGS CO., LTD. (JP) 2020-04-16 — — US disclosed
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