SCHEMBL9766585

SCHEMBL9766585

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C(Cn2ccnc2)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 10/20 0.51
CACNA1D Q01668 10/20 0.51
CACNA1S Q13698 10/20 0.51
CACNA1C Q13936 10/20 0.51
ADORA3 P0DMS8 1/20 0.51
CACNA1B Q00975 1/20 0.51
PDE1C Q14123 1/20 0.49
HIF1A Q16665 3/20 0.48
MEN1 O00255 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
CYP19A1 P11511 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
NFKB1 P19838 2/20 0.48
THPO P40225 2/20 0.48

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
SCHEMBL9787471 0.93 HIF1A (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9787339 0.92 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9787465 0.88 HIF1A (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9787403 0.88 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9822639 0.88 MEN1 (0.49) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9191524 0.86 CYP19A1 (0.44) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10467085 0.84 TP53 (0.49) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9787472 0.84 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9787287 0.83 MEN1 (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10653834 0.81 CACNA1F (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983617-A Anticoagulants, hypotensive agents JOHN WYETH AND BROTHERS LIMITED (GB) 1991-01-08 US disclosed