SCHEMBL11266675

SCHEMBL11266675

CCOC(=O)C1=C(C)N(C)N=C(CC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 13/20 0.62
CACNA1D Q01668 13/20 0.62
CACNA1S Q13698 13/20 0.62
CACNA1C Q13936 13/20 0.62
ADORA3 P0DMS8 1/20 0.62
MAPT P10636 4/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2D6 P10635 2/20 0.60
TSHR P16473 2/20 0.60
NFKB1 P19838 2/20 0.60
LMNA P02545 2/20 0.60
GMNN O75496 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HIF1A Q16665 3/20 0.58
MEN1 O00255 3/20 0.58

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
SCHEMBL11264562 0.89 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11260512 0.88 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11354702 0.86 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11266649 0.85 CACNA1C (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11267200 0.84 NPSR1 (0.49) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11254502 0.83 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10653186 0.82 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11258597 0.81 MAPT (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3443984 0.81 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7430167 0.81 CACNA1F (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348395-A 1,4-Dihydropyridazine compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US claimed
US-4348395-A 1,4-Dihydropyridazine compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed