SCHEMBL29565426

SCHEMBL29565426

CCC(C)c1ccc(S(=O)(=O)n2cc(/C=C/C(=O)c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 10/20 0.62
▸ CA2 P00918 9/20 0.62
▸ MAPT P10636 7/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.47
▸ UBE2N P61088 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NFKB1 P19838 1/20 0.46

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
SCHEMBL29565249 0.91 CA9 (0.58) CA9CA2MAPTKMT2AMEN1
SCHEMBL29565431 0.90 CA9 (0.67) CA9CA2MAPTKMT2AMEN1
SCHEMBL29565287 0.86 CA9 (0.67) CA9CA2MAPTKMT2AMEN1
SCHEMBL29566485 0.85 CA9 (0.63) CA9CA2MAPTKMT2AMEN1
SCHEMBL29566117 0.84 CA9 (0.84) CA9CA2MAPTKMT2AMEN1
SCHEMBL29565128 0.84 CA9 (0.64) CA9CA2MAPTKMT2AMEN1
SCHEMBL29565803 0.83 CA9 (0.71) CA9CA2MAPTKMT2AMEN1
SCHEMBL29566179 0.82 CA9 (0.67) CA9CA2MAPTKMT2AMEN1
SCHEMBL29565710 0.82 CA9 (0.84) CA9CA2MAPTKMT2AMEN1
SCHEMBL29565100 0.82 CA9 (0.84) CA9CA2MAPTKMT2AMEN1

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
WO-2022075805-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER 연세대학교 산학협력단 2022-04-14 — — WO claimed
WO-2022075805-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER 연세대학교 산학협력단 2022-04-14 — — WO disclosed
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