SCHEMBL18102937

SCHEMBL18102937

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

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.73
▸ KMT2A Q03164 5/20 0.73
▸ NSD2 O96028 1/20 0.73
▸ HSP90AA1 P07900 1/20 0.73
▸ APOBEC3G Q9HC16 1/20 0.73
▸ PTPN12 Q05209 1/20 0.58
▸ PTPN22 Q9Y2R2 1/20 0.58
▸ POLB P06746 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ HPGD P15428 1/20 0.58

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
SCHEMBL18103010 0.89 MEN1 (0.68) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL7250592 0.89 PTPN12 (0.59) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL7250589 0.89 PTPN12 (0.59) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL1448003 0.88 MEN1 (0.58) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL6886400 0.88 KMT2A (0.70) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL6886396 0.88 KMT2A (0.70) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL18102873 0.86 KMT2A (0.67) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL18095863 0.85 CTNNB1 (0.65) MEN1KMT2APOLB
SCHEMBL18102989 0.85 CTNNB1 (0.65) MEN1KMT2APOLB
SCHEMBL18095861 0.85 CTNNB1 (0.65) MEN1KMT2APOLB

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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