SCHEMBL6859693

SCHEMBL6859693

CNOC(=O)N1C(=O)NC(C)=C(C#N)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.59
CACNA1D Q01668 8/20 0.59
CACNA1S Q13698 8/20 0.59
CACNA1C Q13936 8/20 0.59
NR1I2 O75469 1/20 0.46
NR3C1 P04150 1/20 0.46
ABCB1 P08183 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
TBXA2R P21731 1/20 0.46
AGTR1 P30556 1/20 0.46
CCKBR P32239 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
SCN5A Q14524 1/20 0.46
SLC29A1 Q99808 1/20 0.46

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
SCHEMBL6137186 0.88 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CNR1I2
SCHEMBL6322062 0.87 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CNR1I2
Methylamine SCHEMBL6859691 0.86 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CNR1I2
SCHEMBL6318892 0.86 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6312331 0.84 CACNA1C (0.51) CACNA1FCACNA1DCACNA1SCACNA1CNR1I2
SCHEMBL6312444 0.83 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CNR1I2
SCHEMBL6314252 0.82 CACNA1F (0.51) CACNA1FCACNA1DCACNA1SCACNA1CNR1I2
SCHEMBL6314874 0.82 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL6312447 0.81 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL6139291 0.80 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809102-B2 FOR THERAPY OF PROLIFERATIVE DISEASES, SUCH AS CANCER; TO INTERRUPT MITOSIS BRISTOL-MYERS SQUIBB COMPANY 2004-10-26 US disclosed