SCHEMBL13317579

SCHEMBL13317579

O=C1NC(=S)NC(=O)C1=C/C=C/Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 4/20 0.60
▸ F2 P00734 1/20 0.48
▸ SIRT2 Q8IXJ6 4/20 0.45
▸ SIRT1 Q96EB6 3/20 0.45
▸ SIRT3 Q9NTG7 2/20 0.45
▸ SIRT5 Q9NXA8 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42

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
SCHEMBL13317581 0.87 METAP1 (0.58) METAP1ALDH1A1RAB9AKMT2AMAPT
SCHEMBL13317593 0.81 METAP1 (0.55) METAP1ALDH1A1RAB9AKMT2AMAPT
SCHEMBL14839892 0.80 ALDH1A1 (0.53) METAP1F2SIRT2SIRT1SIRT3
SCHEMBL13848519 0.76 METAP1 (1.00) METAP1F2SIRT2SIRT1SIRT3
SCHEMBL4044276 0.76 METAP1 (1.00) METAP1F2SIRT2SIRT1SIRT3
SCHEMBL13848138 0.74 METAP1 (0.51) METAP1F2SIRT2SIRT1SIRT3
SCHEMBL12260834 0.73 ALDH1A1 (0.66) ALDH1A1RAB9AKMT2ALMNAMAPK1
SCHEMBL19240097 0.71 APP (0.44) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL10947962 0.70 ALDH1A1 (0.53) SIRT2SIRT1SIRT5ALDH1A1KMT2A
SCHEMBL10947969 0.70 ALDH1A1 (0.53) SIRT2SIRT1SIRT5ALDH1A1KMT2A

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-7728222-B2 A photoelectric conversion device comprising an organic dye-sensitizing semiconductor fine particle thin film is prepared by using a dye having a barbituric acid structure as a partial structure and by adsorbing the dye on a semiconductor thin NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-01 — — US disclosed
US-7728222-B2 A photoelectric conversion device comprising an organic dye-sensitizing semiconductor fine particle thin film is prepared by using a dye having a barbituric acid structure as a partial structure and by adsorbing the dye on a semiconductor thin NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-01 — — US disclosed
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