SCHEMBL8466767

SCHEMBL8466767

O=C1C(=S)C=Cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
MAPT P10636 4/20 0.61
KDM4E B2RXH2 4/20 0.61
IDO1 P14902 3/20 0.61
LMNA P02545 3/20 0.61
POLB P06746 3/20 0.61
CES1 P23141 3/20 0.61
PTPRC P08575 3/20 0.61
ALOX15 P16050 3/20 0.61
BCHE P06276 2/20 0.61
THRB P10828 2/20 0.61
RECQL P46063 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
PKM P14618 1/20 0.61
PTPN1 P18031 1/20 0.61
ACHE P22303 1/20 0.61
HSD17B10 Q99714 1/20 0.61
PTPN22 Q9Y2R2 1/20 0.61

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
SCHEMBL29625958 0.80 LMNA (0.46) MEN1KMT2AMAPTKDM4EIDO1
1,2-Naphthoquinone SCHEMBL15167712 0.76 PTPRC (1.00) MEN1KMT2AMAPTKDM4EIDO1
1,2-Naphthoquinone SCHEMBL173316 0.76 PTPRC (1.00) MEN1KMT2AMAPTKDM4EIDO1
SCHEMBL7721082 0.76 MEN1 (0.67) MEN1KMT2AMAPTKDM4EIDO1
SCHEMBL9784286 0.76 LMNA (0.43) MEN1KMT2AMAPTKDM4EIDO1
SCHEMBL7721084 0.76 MEN1 (0.67) MEN1KMT2AMAPTKDM4EIDO1
1,2-Naphthoquinone SCHEMBL29363665 0.76 PTPRC (1.00) MEN1KMT2AMAPTKDM4EIDO1
SCHEMBL17796873 0.75 MEN1 (0.35) MEN1KMT2AMAPTKDM4EIDO1
1,2-Naphthoquinone SCHEMBL30715501 0.74 PTPRC (0.95) MEN1KMT2AMAPTKDM4EIDO1
1,2-Naphthoquinone SCHEMBL30697786 0.74 PTPRC (0.95) MEN1KMT2AMAPTKDM4EIDO1

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
US-5892091-A PHOSPHOROUS CATALYSTS AND HALOGEN ATOMS UBE INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed