SCHEMBL26099496

SCHEMBL26099496

Cc1ccc(S(=O)(=O)N=S(=O)(F)c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ F2 P00734 3/20 0.43
▸ PRSS1 P07477 3/20 0.43
▸ PRSS2 P07478 3/20 0.43
▸ PRSS3 P35030 3/20 0.43
▸ RECQL P46063 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL17318141 0.84 LMNA (0.50) ALDH1A1MAPTKDM4EHTTTDP1
SCHEMBL4848781 0.73 BCHE (0.55) ALDH1A1MAPTKDM4EKMT2ABCHE
SCHEMBL811061 0.73 ALDH1A1 (0.76) PKMALDH1A1MAPTKDM4EHTT
SCHEMBL27838448 0.72 CES2 (0.52) KDM4ETDP1KMT2ARAB9AL3MBTL1
SCHEMBL16042071 0.72 F2 (0.50) PKMALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL135563 0.71 F2 (0.53) PKMALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL9738285 0.71 F2 (0.53) PKMALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL10047332 0.71 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ETDP1KMT2A
SCHEMBL14193468 0.71 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ETDP1KMT2A
SCHEMBL12444212 0.71 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ETDP1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023070483-A1 PROCESSES OF MAKING 3-FLUORO-5- ( ( (1R, 2S, 2aS) -1, 2, 3, 3, 4, 4-HEXAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) -OXY) -BENZONITRILE AND POLYMORPHS THEREOF NIKANG THERAPEUTICS, INC. (US) 2023-05-04 — — WO claimed
WO-2023076532-A1 PROCESSES OF MAKING 3-FLUORO-5-(((1R,2S,2AS)-1,2,3,3,4,4-HEXAFLUORO-2A-HYDROXY-2,2A,3,4-TETRAHYDRO-1H- CYCLOPENTA[CD]INDEN-7-YL)-OXY)-BENZONITRILE AND POLYMORPHS THEREOF NIKANG THERAPEUTICS, INC. (US) 2023-05-04 — — WO disclosed
WO-2023070483-A1 PROCESSES OF MAKING 3-FLUORO-5- ( ( (1R, 2S, 2aS) -1, 2, 3, 3, 4, 4-HEXAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) -OXY) -BENZONITRILE AND POLYMORPHS THEREOF NIKANG THERAPEUTICS, INC. (US) 2023-05-04 — — WO disclosed
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