SCHEMBL8486496

SCHEMBL8486496

O=S(=O)(NCCCCOc1ccc(-n2ccnc2)cc1)c1cccc2nsnc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL8485189 0.85 TP53 (0.48) ALDH1A1CA1CA2CA9CHRM1
SCHEMBL8485554 0.84 QPCT (0.63) ALDH1A1CA1CA2CA9CYP3A4
SCHEMBL8488739 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL8483983 0.78 CYP2D6 (0.55) ALDH1A1CA1CA2CA9CYP3A4
SCHEMBL8484029 0.78 CYP2D6 (0.54) ALDH1A1CA1CA2CA9CYP3A4
SCHEMBL8483565 0.77 TSHR (0.54) ALDH1A1CA1CA2CA9CYP3A4
SCHEMBL8482499 0.76 CYP2D6 (0.67) ALDH1A1CA1CA2CA9CYP3A4
SCHEMBL8488067 0.76 CA1 (0.49) CA1CA2CA9CYP3A4CYP2D6
SCHEMBL8795185 0.75 MEN1 (0.61) ALDH1A1CA1CA2CA9CYP3A4
SCHEMBL8487591 0.75 ALDH1A1 (0.57) ALDH1A1CA1CA2CA9CYP3A4

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
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-0792873-A1 N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents American Cyanamid Company (US) 1997-09-03 — — EP disclosed
Send feedback