SCHEMBL18103010

SCHEMBL18103010

NC(=O)CN1C(=O)/C(=C/c2cccc(O)c2O)SC1=S

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ NSD2 O96028 1/20 0.68
▸ HSP90AA1 P07900 1/20 0.68
▸ APOBEC3G Q9HC16 1/20 0.68
▸ POLB P06746 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ AKR1B1 P15121 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ DDX3X O00571 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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 0.89 MEN1 (0.73) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL18103066 0.85 CTNNB1 (0.58) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL18095816 0.85 CTNNB1 (0.58) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL18095817 0.85 CTNNB1 (0.58) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL18103095 0.84 MEN1 (0.72) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL18103013 0.83 MEN1 (0.68) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL18103011 0.83 KMT2A (0.65) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL18102872 0.83 MEN1 (0.71) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL6886400 0.82 KMT2A (0.70) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL6886396 0.82 KMT2A (0.70) MEN1KMT2ANSD2HSP90AA1APOBEC3G

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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