SCHEMBL23852915

SCHEMBL23852915

COc1ccc(C=C(N=[N+]=[N-])C(=O)O)c(Cl)c1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ AMY1A P0DUB6 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL19331175 1.00 POLB (0.46) POLBHCAR2ABCG2MEN1NPC1
SCHEMBL19331172 1.00 POLB (0.46) POLBHCAR2ABCG2MEN1NPC1
SCHEMBL19331154 0.90 POLB (0.34) POLBHCAR2ABCG2MEN1NPC1
SCHEMBL19331152 0.90 POLB (0.34) POLBHCAR2ABCG2MEN1NPC1
SCHEMBL19343279 0.89 POLB (0.45) POLBHCAR2ABCG2MEN1NPC1
SCHEMBL19330913 0.89 POLB (0.34) POLBHCAR2MEN1NPC1GAA
SCHEMBL29062787 0.84 KDM4E (0.39) POLBNPC1RAB9AKMT2AMAPT
SCHEMBL19343821 0.79 POLB (0.34) POLBHCAR2MEN1GAARAB9A
SCHEMBL19343493 0.78 MAPT (0.33) POLBMEN1GAAKMT2AMAPT
SCHEMBL27908802 0.77 MAPT (0.45) POLBABCG2MEN1NPC1GAA

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-3884939-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2021-09-29 — — EP disclosed
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