SCHEMBL31130185

SCHEMBL31130185

COC(=O)c1cc(-c2cc(OC)cc(OC)c2)[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL31130360 0.91 NPC1 (0.46) MAPK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL31130529 0.90 MAPK1 (0.48) MAPK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL8368151 0.86 MAPT (0.58) MAPK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL31130219 0.85 MAPT (0.60) MAPK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL31130373 0.85 NPC1 (0.49) MAPK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL29819664 0.85 MAPT (0.60) MAPK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL1221564 0.79 MEN1 (0.61) MAPK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL8589802 0.78 KMT2A (0.59) MAPK1MEN1KMT2AL3MBTL1NPC1
SCHEMBL3450312 0.78 POLB (0.56) MAPK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL3448539 0.77 MAPT (0.55) MAPK1MEN1KMT2AL3MBTL1MAPT

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
EP-4442318-A2 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2024-10-09 EP disclosed