SCHEMBL4553237

SCHEMBL4553237

N=C1C=CC(=N)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.41
▸ CDC25B P30305 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ NSD1 Q96L73 1/20 0.40
▸ EHMT1 Q9H9B1 1/20 0.40
▸ S100A4 P26447 4/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPK1 P28482 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL1518994 0.84 CDC25B (0.70) SLC2A1CDC25BMAOAIDO1MAOB
SCHEMBL29752528 0.82 LMNA (0.46) CDC25BMAOAIDO1MAOBAKT1
Methane SCHEMBL28470631 0.82 CDC25B (0.67) SLC2A1CDC25BMAOAIDO1MAOB
SCHEMBL170468 0.72 LMNA (0.43) CDC25BMAOAIDO1MAOBAKT1
SCHEMBL29481018 0.69 S100A4 (0.58) SLC2A1CDC25BMAOAIDO1MAOB
SCHEMBL5712107 0.69 S100A4 (0.58) SLC2A1CDC25BMAOAIDO1MAOB
SCHEMBL18745224 0.68 MEN1 (0.61) SLC2A1CDC25BMAOAIDO1MAOB
SCHEMBL3141116 0.67 S100A4 (0.63) SLC2A1CDC25BMAOAIDO1MAOB
SCHEMBL933891 0.67 S100A4 (0.63) SLC2A1CDC25BMAOAIDO1MAOB
SCHEMBL4368339 0.66 MEN1 (0.61) CDC25BMAOAIDO1MAOBAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3251582-B2 — — 2002-01-28 — — JP claimed
US-5763479-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS KS BIOMEDIX LTD. (GB) 1998-06-09 — — US claimed
EP-0570414-A1 NAPHTHOQUINONE DERIVATIVES FOR THE TREATMENT OF CHRONIC INFLAMMATION KS BIOMEDIX LTD. (GB) 1993-11-24 — — EP claimed
WO-1992013532-A2 NAPHTHOQUINONE DERIVATIVES FOR THE TREATMENT OF CHRONIC INFLAMMATION CHAYEN JOSEPH (GB) 1992-08-20 — — WO claimed
US-5053053-A PROCESS FOR DYEING KERATINOUS FIBRES WITH A HYDROXYINDOLE IN COMBINATION WITH A QUINONE DERIVATIVE; AND NOVEL 1,4-BENZOQUINONES L'OREAL (FR) 1991-10-01 — — US claimed
WO-2008016085-A9 ISOINDOLES, COMPOUNDS PREPARED FROM THE SAME, AND PROCESSES FOR PRODUCTION OF BOTH NIPPON CATALYTIC CHEM IND (JP) 2009-07-16 — — WO disclosed
EP-0570414-B1 NAPHTHOQUINONE DERIVATIVES FOR THE TREATMENT OF CHRONIC INFLAMMATION KS BIOMEDIX LTD (GB) 2000-07-05 — — EP disclosed
EP-0460996-B1 Keratinic fibres dyeing process with an aminoindol associated with a quinone derivative OREAL (FR) 1994-09-14 — — EP disclosed
EP-0394563-B1 Cyan dyes in dye-donor elements for thermal dye transfer AGFA GEVAERT NV (BE) 1994-03-09 — — EP disclosed
EP-0570414-A1 NAPHTHOQUINONE DERIVATIVES FOR THE TREATMENT OF CHRONIC INFLAMMATION KS BIOMEDIX LTD. (GB) 1993-11-24 — — EP disclosed
WO-1992013532-A3 NAPHTHOQUINONE DERIVATIVES FOR THE TREATMENT OF CHRONIC INFLAMMATION CHAYEN JOSEPH (GB) 1992-10-29 — — WO disclosed
EP-0376776-B1 PROCESS FOR DYEING KERATINOUS FIBRES WITH HYDROXYINDOLE ASSOCIATED WITH QUINONE AND 1,4-BENZOQUINONE L'OREAL (FR) 1992-09-23 — — EP disclosed
WO-1992013532-A2 NAPHTHOQUINONE DERIVATIVES FOR THE TREATMENT OF CHRONIC INFLAMMATION CHAYEN JOSEPH (GB) 1992-08-20 — — WO disclosed
EP-0460996-A1 Keratinic fibres dyeing process with an aminoindol associated with a quinone derivative L'OREAL (FR) 1991-12-11 — — EP disclosed
US-5021393-A Stable quinonediimine dyes AGFA-GEVAERT, N.V. (BE) 1991-06-04 — — US disclosed
EP-0394563-A1 Cyan dyes in dye-donor elements for thermal dye transfer AGFA-GEVAERT N.V. (BE) 1990-10-31 — — EP disclosed
EP-0376776-A2 Process for dyeing keratinous fibres with hydroxyindole associated with quinone and 1,4-benzoquinone L'OREAL (FR) 1990-07-04 — — EP disclosed
US-4064139-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE MERCK & CO., INC. (US) 1977-12-20 — — US disclosed
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