SCHEMBL6955248

SCHEMBL6955248

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
CACNA1F O60840 3/20 0.54
CACNA1D Q01668 3/20 0.54
CACNA1S Q13698 3/20 0.54
CACNA1C Q13936 3/20 0.54
ABCC4 O15439 2/20 0.54
ABCB11 O95342 2/20 0.54
CYP1A2 P05177 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
OPRM1 P35372 2/20 0.54
SCN1A P35498 2/20 0.54
HTR2B P41595 2/20 0.54
KCNH2 Q12809 2/20 0.54
SCN5A Q14524 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN3A Q9NY46 2/20 0.54
NR1I2 O75469 1/20 0.54
NR3C1 P04150 1/20 0.54

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
SCHEMBL10748234 0.90 LMNA (0.43) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL29351076 0.89 ALDH1A1 (0.48) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL744307 0.89 ALDH1A1 (0.48) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10748158 0.86 ALDH1A1 (0.43) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2636596 0.84 KMT2A (0.49) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6949727 0.84 KMT2A (0.49) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL29383650 0.84 KMT2A (0.49) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10745473 0.84 ALDH1A1 (0.59) LMNACYP1A2ADORA3PDE4DALDH1A1
SCHEMBL17263514 0.84 SMN1; SMN2 (0.42) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6954795 0.83 ADORA3 (0.44) LMNACACNA1FCACNA1DCACNA1SCACNA1C

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 8 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
CN-107202893-A A kind of small molecule chip, its construction method, its application and its detection method 广州高通生物技术有限公司 2017-09-26 CN disclosed
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