SCHEMBL8486102

SCHEMBL8486102

Cc1ccc(S(=O)(=O)NCCCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 7/20 0.54
PKM P14618 2/20 0.54
CACNA1H O95180 1/20 0.51
CACNA1B Q00975 1/20 0.51
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HPGD P15428 2/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP19A1 P11511 1/20 0.49

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
SCHEMBL8483226 0.84 MEN1 (0.61) MEN1KMT2AALDH1A1PKMCA12
SCHEMBL8487980 0.81 KMT2A (0.66) MEN1KMT2AALDH1A1PKMCA12
SCHEMBL7983776 0.80 CYP19A1 (0.78) ALDH1A1CACNA1HCACNA1BHTTLMNA
SCHEMBL8487955 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1PKMCA12
SCHEMBL8525321 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1PKMCA12
SCHEMBL7972331 0.79 CYP19A1 (0.76) ALDH1A1CACNA1HCACNA1BHTTLMNA
SCHEMBL7983880 0.79 CYP19A1 (0.76) ALDH1A1CACNA1HCACNA1BHTTLMNA
SCHEMBL7094852 0.78 ALDH1A1 (0.79) MEN1KMT2AALDH1A1PKMCA12
SCHEMBL8525293 0.78 CYP2D6 (0.51) MEN1KMT2ACACNA1HCACNA1BCA2
SCHEMBL22558321 0.78 CYP19A1 (0.59) MEN1KMT2AALDH1A1PKMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792873-A1 N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents American Cyanamid Company (US) 1997-09-03 EP claimed
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 disclosed
EP-0806424-A1 Process for producing cephalosporin antibiotics RANBAXY LABORATORIES, LTD. (IN) 1997-11-12 EP disclosed
EP-0792873-A1 N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents American Cyanamid Company (US) 1997-09-03 EP disclosed