SCHEMBL9705656

SCHEMBL9705656

CCOC(=O)c1nc2cc(C(F)(F)F)ccc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.44
MAOB P27338 1/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL6604068 0.91 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL6604320 0.84 TSHR (0.48) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL6375213 0.84 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6602730 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL30623229 0.81 ADORA3 (0.55) ALDH1A1HPGDKMT2AADORA3
SCHEMBL9704059 0.81 ADORA3 (0.55) ALDH1A1HPGDKMT2AADORA3
SCHEMBL9704290 0.81 GRIN2D (0.55) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL6604565 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL6602046 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL9704461 0.79 LMNA (0.43) KDM4EALDH1A1HPGDHSD17B10NPSR1

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