SCHEMBL10923940

SCHEMBL10923940

CCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.53
PDE4D Q08499 3/20 0.53
MAPT P10636 5/20 0.48
ALDH1A1 P00352 1/20 0.48
CACNA1F O60840 3/20 0.48
CACNA1D Q01668 3/20 0.48
CACNA1S Q13698 3/20 0.48
CACNA1C Q13936 3/20 0.48
ADORA3 P0DMS8 1/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX12 P18054 1/20 0.46
HIF1A Q16665 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 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
SCHEMBL4765776 0.87 ALDH1A1 (0.44) PDE4BPDE4DMAPTALDH1A1PDE4A
SCHEMBL10998352 0.86 MAPT (0.54) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4768036 0.82 HPN (0.47) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL10924474 0.81 HTT (0.44) MAPTALDH1A1ADORA3SMN1; SMN2MEN1
SCHEMBL4289304 0.81 MAPT (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14221817 0.78 MAPT (0.53) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11776841 0.76 PDE4B (0.54) PDE4BPDE4DMAPTALDH1A1CACNA1F
SCHEMBL11002375 0.76 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28679065 0.75 PDE4B (0.56) PDE4BPDE4DMAPTALDH1A1CACNA1F
SCHEMBL10999963 0.74 CA12 (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-0177596-A1 BETA-LACTAM DERIVATIVES, PREPARATION, COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1986-04-16 EP disclosed
WO-1985004878-A1 BETA-LACTAM DERIVATIVES, PREPARATION, COMPOSITIONS CONTAINING THEM BEECHAM GROUP P.L.C. (GB) 1985-11-07 WO disclosed