SCHEMBL7646199

SCHEMBL7646199

NC(=O)c1ccc(O)c2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 1.00
L3MBTL1 Q9Y468 9/20 0.76
FTO Q9C0B1 2/20 0.73
KDM4A O75164 2/20 0.73
EGLN1 Q9GZT9 2/20 0.73
KDM6B O15054 1/20 0.73
KDM6A O15550 1/20 0.73
TET3 O43151 1/20 0.73
KDM4B O94953 1/20 0.73
KDM5C P41229 1/20 0.73
KDM4D Q6B0I6 1/20 0.73
TET2 Q6N021 1/20 0.73
ALKBH5 Q6P6C2 1/20 0.73
TET1 Q8NFU7 1/20 0.73
KDM4C Q9H3R0 1/20 0.73
KDM2A Q9Y2K7 1/20 0.73
KDM3A Q9Y4C1 1/20 0.73
COMT P21964 2/20 0.60
HSP90AA1 P07900 3/20 0.59
IDO1 P14902 2/20 0.59

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
Hydrochloric Acid SCHEMBL7650578 0.98 KDM4E (0.97) KDM4EL3MBTL1FTOKDM4AEGLN1
SCHEMBL11159839 0.86 KDM4E (1.00) KDM4EL3MBTL1FTOKDM4AEGLN1
SCHEMBL27468637 0.86 KDM4E (0.77) KDM4EL3MBTL1FTOKDM4AEGLN1
SCHEMBL6068195 0.84 KDM4E (1.00) KDM4EL3MBTL1FTOKDM4AEGLN1
SCHEMBL29349767 0.84 KDM4E (1.00) KDM4EL3MBTL1FTOKDM4AEGLN1
SCHEMBL163474 0.83 KDM4E (0.73) KDM4EL3MBTL1FTOKDM4AEGLN1
SCHEMBL29462403 0.83 KDM4E (0.73) KDM4EL3MBTL1FTOKDM4AEGLN1
SCHEMBL11803066 0.82 KDM4E (0.68) KDM4EL3MBTL1FTOKDM4AEGLN1
Hydrochloric Acid SCHEMBL3310696 0.81 KDM4E (0.71) KDM4EL3MBTL1FTOKDM4AEGLN1
SCHEMBL10157045 0.79 KDM4E (0.67) KDM4EL3MBTL1FTOKDM4AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495336-B1 OLIGOPEPTIDE DERIVATIVES WHOSE C-TERMINAL AMINO ACID IS ARGININE WHICH IS LINKED TO THE REMAINDER OF AN ELECTROACTIVE ANILINE OR AMINOQUINILONE; SUBSTRATE FOR QUANTITATIVELY DETERMINING ENZYMES, ESPECIALLY THROMBIN, IN BLOOD PENTAPHARM AG (CH) 2002-12-17 US claimed
EP-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP disclosed