SCHEMBL9268773

SCHEMBL9268773

CCOC(=O)c1c([N+](=O)[O-])c(C)[nH]c(=O)c1C(=O)OCC

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
AR P10275 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4D Q08499 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL30433473 0.90 POLB (0.66) POLBARALDH1A1HPGDKDM4E
SCHEMBL9266124 0.79 PDE3B (0.49) POLBARALDH1A1HPGDKDM4E
SCHEMBL9269627 0.76 HTT (0.51) POLBARALDH1A1HPGDKDM4E
SCHEMBL3023400 0.75 HPGD (0.63) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL9270801 0.74 MAPT (0.55) ARALDH1A1MAPTLMNAMAPK1
SCHEMBL7051937 0.74 HPGD (0.53) POLBARALDH1A1HPGDMAPT
SCHEMBL4717450 0.73 POLB (0.50) POLBALDH1A1HPGDKDM4EMAPT
SCHEMBL7051466 0.72 HPGD (0.50) POLBARALDH1A1HPGDMAPT
SCHEMBL26601966 0.71 LMNA (0.56) POLBALDH1A1HPGDKDM4EMAPT
SCHEMBL7017757 0.71 KDM4E (0.60) POLBALDH1A1KDM4EMAPTL3MBTL1

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-5420275-A Chemiluminescent assay, tumors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-30 US disclosed
EP-0491477-A1 Pyridopyridazine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1992-06-24 EP disclosed