SCHEMBL9805535

SCHEMBL9805535

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)N(C(=O)O)C(=NC#N)N1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 12/20 0.50
CACNA1D Q01668 12/20 0.50
CACNA1S Q13698 12/20 0.50
CACNA1C Q13936 12/20 0.50
ADORA3 P0DMS8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL9805543 1.00 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9805562 0.87 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9805571 0.87 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9805597 0.85 CACNA1F (0.51) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9805591 0.85 CACNA1F (0.51) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7265084 0.83 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9475039 0.81 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9805492 0.78 ALDH1A1 (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9805484 0.78 ALDH1A1 (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7267141 0.77 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234830-B1 2-(SUBSTITUTED IMINO)-6-ARYL-3,6-DIHYDRO-4-SUBSTITUTED-1,5(2H)-PYRIMIDINECARBOXYLIC ACIDS AND ANALOGS E.R. Squibb & Sons, Inc. (US) 1991-04-24 EP disclosed
EP-0421480-A1 Polyester polyurethane foam for medical support pads Akzo Nobel N.V. (NL) 1991-04-10 EP disclosed
EP-0234830-A1 2-(Substituted imino)-6-aryl-3,6-dihydro-4-substituted-1,5(2H)-pyrimidinecarboxylic acids and analogs E.R. Squibb & Sons, Inc. (US) 1987-09-02 EP disclosed
US-4689414-A 2-(substituted imino)-6-aryl-3,6-dihydro-4-substituted-1,5(2H)-pyrimidinecarboxylic acids and analogs E. R. SQUIBB & SONS, INC. (US) 1987-08-25 US disclosed
EP-0153790-A2 Polyester polyurethane foam based medical support pad AKZO N.V. (NL) 1985-09-04 EP disclosed