SCHEMBL5301951

SCHEMBL5301951

COc1ccc(C2(OC(C)=O)N=NN=N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
BACE1 P56817 2/20 0.39
PDE4B Q07343 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
CA12 O43570 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
SCHEMBL13203916 0.74 ATM (0.43) CES2CES1CA1CA2MAPT
SCHEMBL27915450 0.71 CYP3A4 (0.43) CES2CES1CA1CA2MAPT
SCHEMBL5287713 0.71 HSD11B1 (0.51) CES2CES1CA1CA2MAPT
SCHEMBL5298336 0.70 CA1 (0.48) CA1CA2MAPTRAB9AMAPK1
SCHEMBL10765712 0.68 CA1 (0.46) CA1CA2MAPTRAB9AMAPK1
SCHEMBL11823191 0.68 KCNA3 (0.44) CES2CES1CA1CA2MAPT
1,4-Dimethoxybenzene SCHEMBL28051166 0.68 CA1 (0.68) CES2CES1CA1CA2MAPT
SCHEMBL1871227 0.66 LMNA (0.67) CES2CES1CA1CA2MAPT
SCHEMBL155983 0.66 LMNA (0.67) CES2CES1CA1CA2MAPT
SCHEMBL4593299 0.66 ALDH1A1 (0.46) CA1CA2MAPTMAPK1KMT2A

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed