SCHEMBL6957618

SCHEMBL6957618

COC(=O)c1c(C)nc(C)c(C(=O)OCCCN(C)C)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ADORA2A P29274 3/20 0.38
▸ HTR2B P41595 3/20 0.38
▸ KCNH2 Q12809 3/20 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 0.94 ADORA3 (0.44) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10748158 0.87 ALDH1A1 (0.43) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6954148 0.86 L3MBTL1 (0.45) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL744307 0.85 ALDH1A1 (0.48) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL29351076 0.85 ALDH1A1 (0.48) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6955248 0.82 LMNA (0.54) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6949727 0.81 KMT2A (0.49) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2636596 0.81 KMT2A (0.49) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL29383650 0.81 KMT2A (0.49) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10745473 0.81 ALDH1A1 (0.59) ADORA3ALDH1A1MAPTSMN1; SMN2KDM4E

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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