SCHEMBL6094283

SCHEMBL6094283

CCSC(=S)CCNN1C(=O)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ASAH1 Q13510 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ PLIN1 O60240 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ PLIN5 Q00G26 1/20 0.35
▸ ABHD5 Q8WTS1 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL6150350 0.78 ALDH1A1 (0.45) PKMALDH1A1MAPTKDM4ERAB9A
SCHEMBL13134034 0.76 CYP1A2 (0.47) PKMALDH1A1MAPTKDM4ERAB9A
SCHEMBL30660067 0.74 MEN1 (0.50) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL8011548 0.74 MEN1 (0.50) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL11408828 0.72 NTRK1 (0.52) PKMALDH1A1MAPTKDM4ERAB9A
SCHEMBL22649407 0.72 ALDH1A1 (0.53) PKMALDH1A1MAPTKDM4ERAB9A
SCHEMBL12834808 0.71 CYP1A2 (0.50) PKMALDH1A1MAPTKDM4ERAB9A
SCHEMBL22649412 0.71 CYP1A2 (0.43) PKMALDH1A1MAPTKDM4ERAB9A
SCHEMBL4950343 0.71 ASAH1 (0.56) ALDH1A1ASAH1CYP1A2
SCHEMBL30297855 0.71 CYP1A2 (0.46) PKMALDH1A1MAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202945-B1 METHODS FOR PREPARING PERFLUORINATED [18 F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION UNIV CATHOLIQUE LOUVAIN (BE) 2005-08-17 — — EP claimed
EP-1202945-A1 METHODS FOR PREPARING PERFLUORINATED [18 F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2002-05-08 — — EP claimed
WO-2001012575-A1 METHODS FOR PREPARING PERFLUORINATED [18F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-02-22 — — WO claimed
US-7108846-B1 Methods for preparing perfluorinated [18f]-radiolabelled nitroimidazole derivatives for cellular hypoxia detection UNIVERSITE CATHOLIQUE DE LOUVAN (BE) 2006-09-19 — — US disclosed
EP-1202945-B1 METHODS FOR PREPARING PERFLUORINATED [18 F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION UNIV CATHOLIQUE LOUVAIN (BE) 2005-08-17 — — EP disclosed
EP-1202945-A1 METHODS FOR PREPARING PERFLUORINATED [18 F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2002-05-08 — — EP disclosed
WO-2001012575-A1 METHODS FOR PREPARING PERFLUORINATED [18F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-02-22 — — WO disclosed
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