SCHEMBL9535018

SCHEMBL9535018

O=[N+]([O-])c1cc2nc(O)c(O)nc2c2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
APEX1 P27695 1/20 0.42
NOS3 P29474 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOS2 P35228 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9533717 0.77 PIM1 (0.36) NOS1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL9669439 0.74 HPRT1 (0.51) SMN1; SMN2KDM4EMEN1MAPTKMT2A
Dnqx SCHEMBL1258964 0.71 POLB (0.57) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL9669275 0.70 ALDH1A1 (0.44) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL9534856 0.70 HSP90AA1 (0.49) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL9534040 0.70 MAPT (0.40) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL9670886 0.69 MAPT (0.65) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL9535035 0.69 CTSB (0.41) SMN1; SMN2MEN1MAPTKMT2ANPSR1
SCHEMBL9533842 0.69 TXNRD1 (0.55) MEN1MAPTKMT2ACTSBALDH1A1
SCHEMBL9532539 0.69 MEN1 (0.48) MEN1KMT2AIDO1GAAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348872-B1 FUSED DIHYDROXYQUINOXALINES AND THEIR USE AS GLUTAMATE ANTAGONISTS NOVO NORDISK A/S (DK) 1993-09-29 EP claimed
US-5057516-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-10-15 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