SCHEMBL8525293

SCHEMBL8525293

N#Cc1ccc(S(=O)(=O)NCCCCOc2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.51
CYP2C9 P11712 7/20 0.51
CYP3A4 P08684 6/20 0.51
CYP1A2 P05177 4/20 0.51
CYP2C19 P33261 4/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CYP19A1 P11511 1/20 0.51
TBXAS1 P24557 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SCN9A Q15858 1/20 0.44
ADRB1 P08588 3/20 0.44
ADRB2 P07550 1/20 0.44
ADRB3 P13945 1/20 0.44
CACNA1H O95180 1/20 0.43

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
SCHEMBL8482499 0.89 CYP2D6 (0.67) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL8487591 0.88 ALDH1A1 (0.57) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL8795185 0.88 MEN1 (0.61) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL8795193 0.88 CYP2D6 (0.53) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL8795789 0.88 MEN1 (0.61) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL8794686 0.88 CYP2D6 (0.53) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL8483983 0.87 CYP2D6 (0.55) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL8795018 0.87 CYP2D6 (0.52) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL8484029 0.86 CYP2D6 (0.54) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL8487067 0.85 MAPT (0.56) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19

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
US-5877196-A N- 4-(imidazolyl or pyrazolyl)phenyl(oxy, sulfinyl, sulfenyl or sulfonyl)alkyl!carboxamides, sulfonamides or phosphoramides having antiarrhythmic properties AMERICAN CYANAMID COMPANY (US) 1999-03-02 US claimed
EP-0792873-A1 N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents American Cyanamid Company (US) 1997-09-03 EP claimed
EP-0792873-A1 N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents American Cyanamid Company (US) 1997-09-03 EP disclosed