SCHEMBL29327563

SCHEMBL29327563

COc1cc(N2C(=O)C=CC2=O)cc(OC)c1N=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.50
TLR9 Q9NR96 1/20 0.50
MGLL Q99685 5/20 0.45
CCR6 P51684 4/20 0.41
HSP90AA1 P07900 3/20 0.41
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL29327617 0.79 CCR6 (0.48) G6PDTLR9MGLLCCR6HSP90AA1
SCHEMBL29327621 0.76 NSD2 (0.41) G6PDMGLLCCR6HSP90AA1ALDH1A1
SCHEMBL15033478 0.74 G6PD (0.61) G6PDTLR9MGLLCCR6HSP90AA1
SCHEMBL23760110 0.71 MAPT (0.48) MAPTMAPK1RAB9AKMT2AGAA
SCHEMBL11351513 0.69 G6PD (0.74) G6PDTLR9MGLLCCR6HSP90AA1
SCHEMBL11350785 0.66 MGLL (0.70) G6PDTLR9MGLLCCR6HSP90AA1
SCHEMBL350447 0.66 MGLL (0.70) G6PDTLR9MGLLCCR6HSP90AA1
SCHEMBL18245706 0.66 GABRA1 (0.48) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL6847469 0.66 MGLL (0.58) MGLLCCR6HSP90AA1ALDH1A1PKM
SCHEMBL21497261 0.66 G6PD (0.68) G6PDTLR9MGLLCCR6HSP90AA1

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-2024148174-A1 PEPTIDE SEQUENCER OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-11 WO disclosed