SCHEMBL9533717

SCHEMBL9533717

O=[N+]([O-])c1cc2nc(O)c(O)nc2c2[nH]nnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
GALR2 O43603 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTSB P07858 2/20 0.33
PIM3 Q86V86 4/20 0.33
GAA P10253 1/20 0.33
CTSH P09668 1/20 0.33
APEX1 P27695 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9035958 0.78 PIM1 (0.37) PIM1HSP90AA1HSP90AB1TXNRD1TXNRD3
SCHEMBL9535018 0.77 NOS1 (0.42) PIM1HSP90AA1HSP90AB1TXNRD1TXNRD3
SCHEMBL9533974 0.75
SCHEMBL9535035 0.74 CTSB (0.41) HSP90AA1HSP90AB1TXNRD1TXNRD3TXNRD2
SCHEMBL10627053 0.73 GPR35 (0.44) LMNAPOLBCTSBGAAKDM4E
Dnqx SCHEMBL1258964 0.73 POLB (0.57) HSP90AA1HSP90AB1TXNRD1TXNRD3TXNRD2
SCHEMBL9534856 0.72 HSP90AA1 (0.49) HSP90AA1HSP90AB1TXNRD1TXNRD3TXNRD2
Silver SCHEMBL9638072 0.72 GPR35 (0.43) LMNAPOLBCTSBGAAKDM4E
SCHEMBL9638088 0.72 GPR35 (0.43) LMNAPOLBCTSBGAAKDM4E
SCHEMBL9534040 0.72 MAPT (0.40) HSP90AA1HSP90AB1TXNRD1TXNRD3TXNRD2

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-4977155-A Nervous system disorders A/S FERROSAN (DK) 1990-12-11 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