SCHEMBL7271902

SCHEMBL7271902

COC(=O)OC1=C(C)NC(C)=C(c2nc(Cc3ccccc3)no2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 1/20 0.48
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2C9 P11712 5/20 0.45
CYP2C19 P33261 5/20 0.45
LMNA P02545 4/20 0.45
HIF1A Q16665 4/20 0.45
CYP2D6 P10635 4/20 0.45
TSHR P16473 3/20 0.45
ADORA3 P0DMS8 3/20 0.45
CACNA1C Q13936 3/20 0.45
MAPK1 P28482 2/20 0.45
NFKB1 P19838 2/20 0.45
THPO P40225 2/20 0.45
PGR P06401 2/20 0.45
CHRM2 P08172 2/20 0.45

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
SCHEMBL7273075 0.93 PDE1C (0.49) PDE1CMAPTMEN1KMT2ATDP1
SCHEMBL7265759 0.93 PDE1C (0.47) PDE1CMAPTMEN1KMT2ATDP1
SCHEMBL7273206 0.92 PDE1C (0.46) PDE1CMAPTMEN1KMT2ATDP1
SCHEMBL10366475 0.90 CYP1A2 (0.52) PDE1CMAPTMEN1KMT2ATDP1
SCHEMBL10368720 0.89 CYP1A2 (0.46) PDE1CMAPTMEN1KMT2ATDP1
SCHEMBL10375090 0.89 CYP1A2 (0.46) PDE1CMAPTMEN1KMT2ATDP1
SCHEMBL10370936 0.89 CYP1A2 (0.54) PDE1CMAPTMEN1KMT2ATDP1
SCHEMBL10370821 0.89 CYP1A2 (0.51) PDE1CMAPTMEN1KMT2ATDP1
SCHEMBL10998252 0.88 MAPT (0.57) PDE1CMAPTMEN1KMT2ATDP1
SCHEMBL10369061 0.88 CYP1A2 (0.42) PDE1CMAPTMEN1KMT2ATDP1

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
EP-0116708-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals CASSELLA Aktiengesellschaft (DE) 1984-08-29 EP claimed
EP-0116708-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals CASSELLA Aktiengesellschaft (DE) 1984-08-29 EP disclosed