SCHEMBL8617622

SCHEMBL8617622

O=C(c1ccccc1)c1ccnc2c(O)cccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.71
L3MBTL1 Q9Y468 4/20 0.71
KDM4A O75164 2/20 0.71
EGLN1 Q9GZT9 2/20 0.71
RAB9A P51151 1/20 0.71
HIF1AN Q9NWT6 1/20 0.71
COMT P21964 1/20 0.59
KDM6B O15054 1/20 0.54
KDM6A O15550 1/20 0.54
TET3 O43151 1/20 0.54
KDM4B O94953 1/20 0.54
KDM5C P41229 1/20 0.54
KDM4D Q6B0I6 1/20 0.54
TET2 Q6N021 1/20 0.54
ALKBH5 Q6P6C2 1/20 0.54
TET1 Q8NFU7 1/20 0.54
FTO Q9C0B1 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
KDM2A Q9Y2K7 1/20 0.54
KDM3A Q9Y4C1 1/20 0.54

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
SCHEMBL10582092 0.88 COMT (0.76) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL28409135 0.85 L3MBTL1 (0.49) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL298623 0.83 KDM4E (1.00) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL11159839 0.79 KDM4E (1.00) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL17151063 0.77 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2A
SCHEMBL11054917 0.76 AKR1C3 (0.53) KDM4EL3MBTL1MAPTALDH1A1MEN1
SCHEMBL31424218 0.75 KDM4E (0.78) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL10383135 0.75 KDM4E (0.78) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL27468637 0.75 KDM4E (0.77) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL717723 0.73 AKR1C3 (0.64) L3MBTL1MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706396-A4 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 1998-12-09 EP disclosed
EP-0706396-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1996-04-17 EP disclosed
WO-1994027605-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1994-12-08 WO disclosed