SCHEMBL31662624

SCHEMBL31662624

CC(C)(C)OC(=O)N1CCc2cc(-c3cncc4[nH]cc(I)c34)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.51
▸ NR1H2 P55055 1/20 0.45
▸ ROCK2 O75116 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ CDK9 P50750 2/20 0.36
▸ SLC34A1 Q06495 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ HDAC8 Q9BY41 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
SCHEMBL31662722 0.83 ESR2 (0.52) ESR2NR1H2ROCK2MAPK1MAPT
SCHEMBL31662706 0.83 ESR2 (0.53) ESR2NR1H2ROCK2MAPK1MAPT
SCHEMBL15779488 0.78 PAK1 (0.53) ESR2NR1H2ROCK2MAPTNAMPT
SCHEMBL31083726 0.76 ESR2 (0.66) ESR2NR1H2ROCK2MAPK1MAPT
SCHEMBL25404045 0.76 ESR2 (0.66) ESR2NR1H2ROCK2MAPK1MAPT
SCHEMBL31662443 0.76 ESR2 (0.44) ESR2NR1H2MAPTNAMPTGPR119
SCHEMBL31083736 0.75 ESR2 (0.61) ESR2NR1H2GPR119
SCHEMBL25404096 0.75 ESR2 (0.61) ESR2NR1H2GPR119
SCHEMBL15778873 0.74 NR1H2 (0.51) ESR2NR1H2ROCK2MAPTSLC34A1
SCHEMBL24842903 0.74 ESR2 (0.65) ESR2NR1H2MAPK1NAMPTDDB1

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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