SCHEMBL9705025

SCHEMBL9705025

CCOC(=O)c1nc2ccc(Cl)c(Cl)c2[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.44
KDM5B Q9UGL1 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TLR9 Q9NR96 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TARBP2 Q15633 1/20 0.39

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
SCHEMBL9705657 0.80 GLP1R (0.47) GLP1RKDM5BMAPTKDM4EALDH1A1
SCHEMBL9704126 0.80 POLB (0.45) KDM5BPOLBMAPTKDM4EALDH1A1
SCHEMBL6377225 0.77 SIRT2 (0.56) ALDH1A1SIRT2SIRT1SIRT3ALOX15
SCHEMBL9703575 0.76 GRIN2D (0.63) GLP1RSIRT2SIRT1SIRT3HTT
SCHEMBL11372297 0.75 ALDH1A1 (0.46) POLBMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL9704059 0.74 ADORA3 (0.55) GLP1RALDH1A1HPGDSIRT2SIRT1
SCHEMBL2779501 0.74 MAP3K5 (0.46) POLBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL30623229 0.74 ADORA3 (0.55) GLP1RALDH1A1HPGDSIRT2SIRT1
SCHEMBL11366574 0.74 GLP1R (0.42) GLP1RPOLBMAPTALDH1A1NPC1
SCHEMBL6377630 0.74 ALDH1A1 (0.51) POLBKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed