SCHEMBL31662722

SCHEMBL31662722

CC(C)(C)OC(=O)N1CCc2cc(-c3cncc4[nH]c(I)cc34)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.52
▸ NR1H2 P55055 1/20 0.46
▸ F12 P00748 3/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ CREBBP Q92793 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
SCHEMBL31662706 0.85 ESR2 (0.53) ESR2NR1H2NAMPTROCK2MAPK1
SCHEMBL31662624 0.83 ESR2 (0.51) ESR2NR1H2NAMPTROCK2MAPK1
SCHEMBL25404045 0.75 ESR2 (0.66) ESR2NR1H2NAMPTROCK2MAPK1
SCHEMBL31083726 0.75 ESR2 (0.66) ESR2NR1H2NAMPTROCK2MAPK1
SCHEMBL25404096 0.74 ESR2 (0.61) ESR2NR1H2GPR119CYP11B1CYP11B2
SCHEMBL31083736 0.74 ESR2 (0.61) ESR2NR1H2GPR119CYP11B1CYP11B2
SCHEMBL1365225 0.73 ESR2 (0.74) ESR2NR1H2NAMPTMAPK1MAPT
SCHEMBL25407478 0.73 ESR2 (0.60) ESR2NR1H2NAMPTMAPK1MAPT
SCHEMBL30593261 0.73 ESR2 (0.60) ESR2NR1H2NAMPTMAPK1MAPT
SCHEMBL15779488 0.73 PAK1 (0.53) ESR2NR1H2NAMPTROCK2MAPT

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-2025151449-A1 BIFUNCTIONAL P53-BINDING COMPOUNDS AND USES THEREOF PHOTYS THERAPEUTICS, INC. (US) 2025-07-17 — — WO disclosed
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