SCHEMBL18103011

SCHEMBL18103011

O=C(CN1C(=O)/C(=C/c2cccc(O)c2O)SC1=S)N[SH](=O)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.65
▸ MEN1 O00255 6/20 0.65
▸ NSD2 O96028 1/20 0.65
▸ HSP90AA1 P07900 1/20 0.65
▸ APOBEC3G Q9HC16 1/20 0.65
▸ MAPT P10636 4/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ DDX3X O00571 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47

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
SCHEMBL18102937 0.84 MEN1 (0.73) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL18103010 0.83 MEN1 (0.68) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL18103009 0.80 MEN1 (0.69) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL18103095 0.79 MEN1 (0.72) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL18103012 0.79 MEN1 (1.00) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL18102872 0.78 MEN1 (0.71) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL6886396 0.78 KMT2A (0.70) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL6886400 0.78 KMT2A (0.70) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL18103013 0.77 MEN1 (0.68) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL18102873 0.76 KMT2A (0.67) KMT2AMEN1NSD2HSP90AA1APOBEC3G

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
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 — — WO disclosed
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