SCHEMBL29565503

SCHEMBL29565503

CCCCCc1ccc(S(=O)(=O)n2cc(/C=C/C(=O)c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 9/20 0.61
▸ CA2 P00918 8/20 0.61
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ TP53 P04637 1/20 0.49
▸ PLA2G1B P04054 7/20 0.48
▸ ATG4B Q9Y4P1 7/20 0.48
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RECQL P46063 1/20 0.47

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
SCHEMBL29565470 0.99 CA9 (0.60) CA9CA2MAPTMEN1NPC1
SCHEMBL29565696 0.97 CA9 (0.62) CA9CA2MAPTMEN1NPC1
SCHEMBL29565128 0.93 CA9 (0.64) CA9CA2MAPTMEN1NPC1
SCHEMBL29565287 0.89 CA9 (0.67) CA9CA2MAPTMEN1NPC1
SCHEMBL29565517 0.89 CA9 (0.59) CA9CA2MAPTMEN1NPC1
SCHEMBL29565511 0.86 CA9 (0.61) CA9CA2MAPTMEN1NPC1
SCHEMBL29566485 0.84 CA9 (0.63) CA9CA2MAPTMEN1NPC1
SCHEMBL29565477 0.84 CA9 (0.66) CA9CA2MAPTMEN1NPC1
SCHEMBL29565249 0.84 CA9 (0.58) CA9CA2MAPTMEN1NPC1
SCHEMBL29566117 0.84 CA9 (0.84) CA9CA2MAPTMEN1NPC1

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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