SCHEMBL18102873

SCHEMBL18102873

O=C(O)CCCN1C(=O)/C(=C/c2cccc(O)c2O)SC1=S

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.67
▸ MEN1 O00255 5/20 0.67
▸ NSD2 O96028 1/20 0.67
▸ HSP90AA1 P07900 1/20 0.67
▸ APOBEC3G Q9HC16 1/20 0.67
▸ FFAR1 O14842 5/20 0.66
▸ POLB P06746 3/20 0.64
▸ MAPT P10636 7/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ RECQL P46063 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ APEX1 P27695 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CISD1 Q9NZ45 2/20 0.58
▸ MAOA P21397 1/20 0.58
▸ CTNNB1 P35222 1/20 0.58
▸ TCF7L2 Q9NQB0 1/20 0.58
▸ HTT P42858 2/20 0.57
▸ MAPK1 P28482 1/20 0.57

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
SCHEMBL6886396 0.93 KMT2A (0.70) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL6886400 0.93 KMT2A (0.70) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL12008471 0.91 POLB (0.69) KMT2AMEN1FFAR1POLBMAPT
SCHEMBL12008468 0.86 CTNNB1 (0.72) KMT2AMEN1FFAR1POLBMAPT
SCHEMBL18102937 0.86 MEN1 (0.73) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL18102872 0.85 MEN1 (0.71) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL12008566 0.84 CISD1 (0.73) KMT2AMEN1NSD2HSP90AA1APOBEC3G
SCHEMBL15708889 0.83 FFAR1 (0.92) KMT2AMEN1FFAR1POLBMAPT
SCHEMBL30919380 0.83 FFAR1 (0.92) KMT2AMEN1FFAR1POLBMAPT
SCHEMBL15708888 0.83 FFAR1 (0.92) KMT2AMEN1FFAR1POLBMAPT

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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