SCHEMBL31128516

SCHEMBL31128516

CCOC(=O)c1cc(-c2cc(C#N)cc(OC)c2)on1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.56
▸ MAPT P10636 7/20 0.54
▸ TP53 P04637 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.47
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ ACR P10323 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ BRAF P15056 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL15437039 0.82 TP53 (0.72) THRBMAPTTP53LMNARXFP1
SCHEMBL15468398 0.79 MAPT (0.68) THRBMAPTTP53ACRALDH1A1
SCHEMBL31128646 0.77 MAPK1 (0.46) THRBMAPTTP53LMNAACR
SCHEMBL31128598 0.77 NOTUM (0.46) THRBRXFP1
SCHEMBL31128547 0.76 THRB (0.49) THRBMAPTTP53LMNAALDH1A1
SCHEMBL2765109 0.75 MAPK1 (0.54) THRBMAPTTP53ACRALDH1A1
SCHEMBL31128590 0.74 RXFP1 (0.41) THRBMAPTLMNARXFP1
SCHEMBL15464385 0.72 TP53 (0.51) THRBMAPTTP53LMNAACR
SCHEMBL14167735 0.72 TP53 (0.51) THRBMAPTTP53LMNAACR
SCHEMBL21523720 0.72 MAPK1 (0.76) THRBMAPTTP53RXFP1ALDH1A1

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-2024173343-A1 COMPOUNDS TARGETING HYDROXYSTEROID 17-BETA DEHYDROGENASE (HSD17B) AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-08-22 — — WO disclosed
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