SCHEMBL9534757

SCHEMBL9534757

Oc1nc2cc(Cl)c3nccnc3c2nc1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 3/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
HSP90AA1 P07900 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
SLC6A2 P23975 2/20 0.33
OPRK1 P41145 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15B O15296 1/20 0.33
NR1I2 O75469 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL9532920 0.76 MAPT (0.38) KDM4ELMNAMAPTALDH1A1MEN1
SCHEMBL9533866 0.76 NQO2 (0.35) MAPTHTTNQO2
SCHEMBL9534856 0.72 HSP90AA1 (0.49) KDM4ELMNAHSP90AA1MAPTALDH1A1
SCHEMBL9534185 0.72 CSNK2A1 (0.36) LMNAMAPTMEN1KMT2ANQO2
2,3-Dihydroxy-6,7-Dichloroquinoxaline SCHEMBL1259521 0.71 MMP1 (0.50) ALDH1A1CYP3A4HTTNQO2HPGD
SCHEMBL11215259 0.71 THRB (0.46) KDM4ELMNAMAPTALDH1A1MEN1
SCHEMBL9533707 0.71 ALDH1A1 (0.34) MAPTALDH1A1CYP3A4NQO2CASP6
SCHEMBL9532647 0.69 ADRA2A (0.37) KDM4ELMNAHSP90AA1MAPTALDH1A1
SCHEMBL11207252 0.69 ALDH1A1 (0.33) ALDH1A1CYP3A4NQO2CASP6
SCHEMBL11217567 0.69 NQO2 (0.33) NQO2

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