SCHEMBL11523261

SCHEMBL11523261

C=CCOC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 4/20 0.46
MAOB P27338 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CES2 O00748 1/20 0.39
STAT3 P40763 1/20 0.38

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
SCHEMBL23978384 0.82 MAPT (0.63) MAPTNPSR1ALDH1A1MAOBMEN1
SCHEMBL8464902 0.77 MAPT (0.61) MAPTNPSR1ALDH1A1MAOBMEN1
SCHEMBL8464899 0.77 MAPT (0.61) MAPTNPSR1ALDH1A1MAOBMEN1
SCHEMBL1373654 0.76 MAPT (0.71) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL11785708 0.74 CYP3A4 (0.50) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL12111897 0.74 MAOB (0.59) MAPTNPSR1ALDH1A1MAOBMEN1
SCHEMBL1149077 0.73 CYP3A4 (0.55) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL7829312 0.72 MAPT (0.69) MAPTNPSR1ALDH1A1MAOBMEN1
SCHEMBL7829304 0.72 MAPT (0.69) MAPTNPSR1ALDH1A1MAOBMEN1
SCHEMBL8219793 0.72 MEN1 (0.64) MAPTNPSR1ALDH1A1MEN1KMT2A

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-4179500-A 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 US disclosed