SCHEMBL29028440

SCHEMBL29028440

Cc1ccc(S(=O)(=O)NCCCC(CCc2ccccc2)S(=O)(=O)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CA12 O43570 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CA2 P00918 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
SCHEMBL29028459 0.84 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL28808214 0.82 ALDH1A1 (0.79) ALDH1A1RAB9AMEN1KMT2ACA12
SCHEMBL29100457 0.81 ALDH1A1 (0.71) ALDH1A1RAB9AMEN1KMT2ACA12
SCHEMBL29028371 0.81 ALDH1A1 (0.58) ALDH1A1RAB9AMEN1KMT2ACA12
SCHEMBL29028422 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGAATP53
SCHEMBL625181 0.79 ALDH1A1 (0.84) ALDH1A1RAB9AMEN1KMT2ACA12
SCHEMBL29028357 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL18221864 0.77 LMNA (0.64) ALDH1A1RAB9AMEN1KMT2ACA12
SCHEMBL812683 0.76 ALDH1A1 (0.75) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL18221858 0.76 RAB9A (0.62) ALDH1A1RAB9AMEN1KMT2ACA12

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
CN-115974732-A Method for preparing alkyl sulfonyl fluoride 中国石油大学(华东) 2023-04-18 — — CN disclosed
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