SCHEMBL6094288

SCHEMBL6094288

CCC(CNN1C(=O)c2ccccc2C1=O)C(=S)S

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ASAH1 Q13510 1/20 0.33
▸ CASP3 P42574 1/20 0.33

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
SCHEMBL28084227 0.73 KMT2A (0.46) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL22649171 0.73 CYP1A2 (0.46) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL6094285 0.71 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL6150350 0.71 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL12834808 0.70 CYP1A2 (0.50) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL12834642 0.70 CYP1A2 (0.46) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL28416384 0.68 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL13134034 0.68 CYP1A2 (0.47) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL6094283 0.67 PKM (0.38) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL22633990 0.66 KMT2A (0.45) ALDH1A1MAPTKDM4ERAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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