SCHEMBL7047125

SCHEMBL7047125

C[n+]1ccc(C=O)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.48
▸ TERT O14746 1/20 0.48
▸ TLR9 Q9NR96 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ PTGS2 P35354 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL7044936 0.94 CYP2A6 (0.47) CYP2A6TERTTLR9PTGS2CA12
SCHEMBL11398927 0.94 CYP2A6 (0.47) CYP2A6TERTTLR9PTGS2CA12
SCHEMBL1323372 0.87 CHAT (0.47) CYP2A6TERTGAAPTGS2HDAC8
SCHEMBL1001154 0.86 TERT (0.55) TERTTLR9GAACA12CA2
Water SCHEMBL25192063 0.85 CHAT (0.46) CYP2A6TERTGAAPTGS2HDAC8
SCHEMBL9079626 0.85 HDAC8 (0.58) TERTTLR9GAAPTGS2CA12
SCHEMBL372527 0.83 CHAT (0.61) TERTPTGS2HTTSMN1; SMN2MEN1
SCHEMBL4625614 0.83 CYP2A6 (0.44) CYP2A6TERTTLR9GAAPTGS2
Paraquat SCHEMBL4086035 0.82 TERT (0.59) TERTTLR9GAACA12CA2
SCHEMBL4688796 0.80 TERT (0.43) TERTPTGS2CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP claimed
EP-0906262-B1 COLCHICINE-SKELETON COMPOUNDS, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM INDENA SPA (IT) 2002-08-14 — — EP claimed
US-6080739-A HAVE A MARKED ANTIBLASTIC ACTIVITY BOTH ON THE NORMAL CANCER CELLS AND ON THE CHEMORESISTANT PHENOTYPE INDENA S.P.A. (IT) 2000-06-27 — — US claimed
EP-0906262-A1 COLCHICINE-SKELETON COMPOUNDS, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM INDENA S.p.A. (IT) 1999-04-07 — — EP claimed
WO-1997047577-A1 COLCHICINE-SKELETON COMPOUNDS, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM INDENA S.P.A. (IT) 1997-12-18 — — WO claimed
EP-3665528-B1 ELECTRO-OPTICAL DEVICE HAVING A TRANSPARENT ION EXCHANGE MEMBRANE GENTEX CORP (US) 2023-04-05 — — EP disclosed
CN-110892320-B Electro-optical device with transparent ion exchange membrane 金泰克斯公司 2022-05-10 — — CN disclosed
US-10774191-B2 Electro-optical device having a transparent ion exchange membrane GENTEX CORPORATION (US) 2020-09-15 — — US disclosed
EP-3665528-A1 ELECTRO-OPTICAL DEVICE HAVING A TRANSPARENT ION EXCHANGE MEMBRANE Gentex Corporation (US) 2020-06-17 — — EP disclosed
CN-110892320-A Electro-optical device with transparent ion exchange membrane 金泰克斯公司 2020-03-17 — — CN disclosed
US-20190048159-A1 ELECTRO-OPTICAL DEVICE HAVING A TRANSPARENT ION EXCHANGE MEMBRANE GENTEX CORPORATION 2019-02-14 — — US disclosed
WO-2019032695-A1 ELECTRO-OPTICAL DEVICE HAVING A TRANSPARENT ION EXCHANGE MEMBRANE GENTEX CORPORATION (US) 2019-02-14 — — WO disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP disclosed
EP-0906262-B1 COLCHICINE-SKELETON COMPOUNDS, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM INDENA SPA (IT) 2002-08-14 — — EP disclosed
US-6080739-A HAVE A MARKED ANTIBLASTIC ACTIVITY BOTH ON THE NORMAL CANCER CELLS AND ON THE CHEMORESISTANT PHENOTYPE INDENA S.P.A. (IT) 2000-06-27 — — US disclosed
EP-0906262-A1 COLCHICINE-SKELETON COMPOUNDS, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM INDENA S.p.A. (IT) 1999-04-07 — — EP disclosed
WO-1997047577-A1 COLCHICINE-SKELETON COMPOUNDS, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM INDENA S.P.A. (IT) 1997-12-18 — — WO disclosed
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