SCHEMBL6954148

SCHEMBL6954148

CCN(CC)CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SCN1A P35498 4/20 0.43
▸ SCN2A Q99250 4/20 0.43
▸ SCN3A Q9NY46 4/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ EGFR P00533 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KDR P35968 1/20 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
SCHEMBL6954795 0.90 ADORA3 (0.44) L3MBTL1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL10748158 0.87 ALDH1A1 (0.43) L3MBTL1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL6957618 0.86 ADORA3 (0.41) SCN1ASCN2ASCN3AALDH1A1KDM4E
SCHEMBL29351076 0.85 ALDH1A1 (0.48) SCN1ASCN2ASCN3AALDH1A1KDM4E
SCHEMBL744307 0.85 ALDH1A1 (0.48) SCN1ASCN2ASCN3AALDH1A1KDM4E
SCHEMBL10745473 0.83 ALDH1A1 (0.59) L3MBTL1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6955248 0.82 LMNA (0.54) ATMSCN1ASCN2ASCN3AALDH1A1
SCHEMBL10746422 0.81 ALDH1A1 (0.52) L3MBTL1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2636596 0.81 KMT2A (0.49) L3MBTL1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL29383650 0.81 KMT2A (0.49) L3MBTL1SCN1ASCN2ASCN3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 — — EP claimed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 — — EP claimed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 — — WO claimed
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 — — EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 — — US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 — — EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 — — WO disclosed
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