SCHEMBL8529640

SCHEMBL8529640

Cc1ccc(S(=O)(=O)[O-])cc1.FC[n+]1ccccc1

nearest known ligand 0.43

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
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
GAA P10253 1/20 0.39
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CYP1A2 P05177 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 2/20 0.38

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
SCHEMBL6514943 0.86 LMNA (0.43) LMNAHTTSMN1; SMN2RECQLCYP3A4
SCHEMBL2943216 0.85 LMNA (0.43) LMNAHTTSMN1; SMN2RECQLCYP3A4
SCHEMBL28502449 0.82 LMNA (0.42) LMNAHTTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL9131821 0.81 GAA (0.43) LMNAHTTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL4303539 0.81 SMN1; SMN2 (0.40) LMNAHTTSMN1; SMN2RECQLCYP3A4
SCHEMBL8863313 0.81 ALDH1A1 (0.55) LMNAHTTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL2638736 0.80 HTT (0.49) LMNAHTTSMN1; SMN2MAPK1ACHE
SCHEMBL11150598 0.80 C5AR1 (0.41) LMNAHTTSMN1; SMN2RECQLCYP3A4
SCHEMBL17847866 0.80 HSP90AA1 (0.44) LMNAHTTSMN1; SMN2RECQLCYP3A4
SCHEMBL1982598 0.79 TERT (0.49) LMNAHTTSMN1; SMN2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5362859-A Immobilized ligand proteins, chromatography SEPRACOR, INC. (US) 1994-11-08 US claimed
EP-0610755-A1 An affinity separation device and its use for immunoglobulin separation Pall Corporation (US) 1994-08-17 EP claimed
EP-0433112-B1 Modified gangliosides and the functional derivatives thereof FIDIA SPA (IT) 1998-10-28 EP disclosed
US-5424294-A Treating central and peripheral nervous system disorders FIDIA S.P.A. (IT) 1995-06-13 US disclosed
US-5362859-A Immobilized ligand proteins, chromatography SEPRACOR, INC. (US) 1994-11-08 US disclosed
EP-0611592-A2 Membranes for use in affinity separation and methods for activating membranes Pall Corporation (US) 1994-08-24 EP disclosed
EP-0610755-A1 An affinity separation device and its use for immunoglobulin separation Pall Corporation (US) 1994-08-17 EP disclosed
EP-0610756-A1 Activated membrane and method for ligate separation Pall Corporation (US) 1994-08-17 EP disclosed
US-5310688-A Chromatography SEPRACOR INC. (US) 1994-05-10 US disclosed
US-5264424-A Modified gangliosides and the functional derivatives thereof FIDIA S.P.A. (IT) 1993-11-23 US disclosed
EP-0433112-A1 Modified gangliosides and the functional derivatives thereof FIDIA S.p.A. (IT) 1991-06-19 EP disclosed