SCHEMBL9534856

SCHEMBL9534856

O=[N+]([O-])c1cc2nc(O)c(O)nc2c2nccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.49
HSP90AB1 P08238 1/20 0.49
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CTSB P07858 4/20 0.43
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
GAA P10253 1/20 0.43
PDE10A Q9Y233 1/20 0.40
TDP1 Q9NUW8 5/20 0.40
LMNA P02545 5/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CASP6 P55212 3/20 0.40
OPRK1 P41145 2/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL9819646 0.84 HSP90AA1 (0.47) HSP90AA1HSP90AB1MAPTALDH1A1KDM4E
SCHEMBL9670886 0.82 MAPT (0.65) HSP90AA1HSP90AB1MAPTALDH1A1KDM4E
SCHEMBL9535035 0.79 CTSB (0.41) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL9533842 0.79 TXNRD1 (0.55) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL9532539 0.79 MEN1 (0.48) HSP90AA1HSP90AB1MEN1KMT2AIDO1
Dnqx SCHEMBL1258964 0.78 POLB (0.57) HSP90AA1HSP90AB1MAPTALDH1A1KDM4E
SCHEMBL9534040 0.76 MAPT (0.40) HSP90AA1HSP90AB1MAPTALDH1A1KDM4E
SCHEMBL9534461 0.76 HSP90AA1 (0.39) HSP90AA1HSP90AB1MAPTALDH1A1KDM4E
SCHEMBL9669439 0.74 HPRT1 (0.51) HSP90AA1HSP90AB1MAPTALDH1A1KDM4E
SCHEMBL6108346 0.73 PTPN11 (0.64) HSP90AA1HSP90AB1MAPTALDH1A1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079250-A TRICYCLIC HETEROCYCLIC DIOLS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-07 US claimed
EP-0348872-B1 FUSED DIHYDROXYQUINOXALINES AND THEIR USE AS GLUTAMATE ANTAGONISTS NOVO NORDISK A/S (DK) 1993-09-29 EP disclosed
US-5109001-A Treating hyperactivity of excitatory neurotransmitters NOVO NORDISK A/S (DK) 1992-04-28 US disclosed
US-5079250-A TRICYCLIC HETEROCYCLIC DIOLS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-07 US disclosed
US-5075306-A Nervous system, psychological disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
US-5057516-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-10-15 US disclosed
US-4977155-A Nervous system disorders A/S FERROSAN (DK) 1990-12-11 US disclosed
EP-0348872-A1 Fused dihydroxyquinoxalines and their use as glutamate antagonists NOVO NORDISK A/S (DK) 1990-01-03 EP disclosed