SCHEMBL8488739

SCHEMBL8488739

O=S(=O)(NCCCCOc1ccc(-n2cnnn2)cc1)c1cccc2nsnc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ LMNA P02545 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PKM P14618 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 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
SCHEMBL8486496 0.82 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL8485836 0.78 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL8483139 0.75 KDM4E (0.56) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL8795501 0.75 KDM4E (0.53) ALDH1A1MEN1KMT2AMAPK1PKM
SCHEMBL23016797 0.71 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL12085541 0.69 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL11888598 0.68 CYP1A2 (0.74) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL8485189 0.67 TP53 (0.48) ALDH1A1KMT2AMAPK1SMN1; SMN2CYP1A2
SCHEMBL8795385 0.66 POLB (0.61) ALDH1A1MEN1KMT2APKMCYP3A4
SCHEMBL8485554 0.65 QPCT (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2

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
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