SCHEMBL6150350

SCHEMBL6150350

O=C1c2ccccc2C(=O)N1NCCC(=S)S

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ NGFR P08138 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ GAA P10253 1/20 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
SCHEMBL30660067 0.79 MEN1 (0.50) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL8011548 0.79 MEN1 (0.50) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL6094283 0.78 PKM (0.38) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL11408828 0.77 NTRK1 (0.52) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL8873486 0.74 CYP1A2 (0.48) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL4813089 0.74 MAPT (0.45) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL6520637 0.73 CYP1A2 (0.47) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL13134034 0.73 CYP1A2 (0.47) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL31526985 0.73 CYP1A2 (0.47) ALDH1A1MAPTKDM4ERAB9ANPSR1
SCHEMBL6096335 0.72 CYP1A2 (0.43) 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 1 patent. 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
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