SCHEMBL18103012

SCHEMBL18103012

O=C1/C(=C/c2cccc(O)c2O)SC(=S)N1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 1.00
▸ KMT2A Q03164 14/20 1.00
▸ HSP90AA1 P07900 2/20 1.00
▸ NSD2 O96028 1/20 1.00
▸ APOBEC3G Q9HC16 1/20 1.00
▸ POLB P06746 8/20 0.73
▸ NOD2 Q9HC29 1/20 0.73
▸ MAPT P10636 4/20 0.66
▸ TDP1 Q9NUW8 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ LMNA P02545 2/20 0.66
▸ HPGD P15428 1/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ MAPK1 P28482 4/20 0.65
▸ CASP3 P42574 2/20 0.65
▸ SENP8 Q96LD8 2/20 0.65
▸ SENP7 Q9BQF6 2/20 0.65
▸ SENP6 Q9GZR1 2/20 0.65
▸ ATM Q13315 2/20 0.65
▸ GAA P10253 1/20 0.65

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
SCHEMBL19999130 0.85 MEN1 (0.74) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL23752553 0.85 MEN1 (1.00) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL23752554 0.85 MEN1 (1.00) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL18102937 0.84 MEN1 (0.73) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL18103095 0.84 MEN1 (0.72) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL18102872 0.83 MEN1 (0.71) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL6886400 0.82 KMT2A (0.70) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL6886396 0.82 KMT2A (0.70) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL18103009 0.82 MEN1 (0.69) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL5472001 0.81 MEN1 (0.69) MEN1KMT2AHSP90AA1NSD2APOBEC3G

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
Send feedback