SCHEMBL9434111

SCHEMBL9434111

CC1=C(c2ccccn2)C(c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.47
CACNA1D Q01668 8/20 0.47
CACNA1S Q13698 8/20 0.47
CACNA1C Q13936 8/20 0.47
ADORA3 P0DMS8 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PDE1C Q14123 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HIF1A Q16665 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL9434138 0.88 MAPT (0.46) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9433733 0.86 CACNA1B (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434587 0.86 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL9434672 0.85 CACNA1B (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434647 0.85 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9433325 0.85 LMNA (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434383 0.84 MAPT (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434381 0.83 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10367220 0.83 PDE1C (0.53) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9433863 0.82 GUSB (0.55) 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-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed