SCHEMBL9533409

SCHEMBL9533409

Cc1nc2ccc3nc(O)c(O)nc3c2nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 6/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 5/20 0.36
NQO2 P16083 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
STAT3 P40763 1/20 0.36
DHFR P00374 3/20 0.36
HKDC1 Q2TB90 1/20 0.34
CYP1A2 P05177 2/20 0.33
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL11202171 0.85 MAPT (0.62) MAPTKDM4EMAPK1TDP1ALDH1A1
SCHEMBL10449976 0.77 MAPT (0.38) MAPTKDM4EMAPK1TDP1ALDH1A1
SCHEMBL9532647 0.76 ADRA2A (0.37) MAPTKDM4EMAPK1ALDH1A1GAA
SCHEMBL13348575 0.74 MAPT (0.42) MAPTKDM4EMAPK1TDP1ALDH1A1
SCHEMBL9533866 0.74 NQO2 (0.35) MAPTNQO2HKDC1
SCHEMBL3356091 0.71 ACHE (0.71) MAPTKDM4EALDH1A1NQO2GAA
SCHEMBL10557250 0.71 ACHE (0.46) MAPTKDM4EMAPK1ALDH1A1NQO2
SCHEMBL9533760 0.71 KDM4E (0.31) MAPTKDM4EMAPK1
SCHEMBL5984487 0.70 ACHE (0.39) MAPTKDM4EMAPK1TDP1ALDH1A1
SCHEMBL12313653 0.70 MAPT (0.63) MAPTKDM4EMAPK1TDP1GAA

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