SCHEMBL25599247

SCHEMBL25599247

CNc1cccc2c1CN(C(=O)c1c(O)cc(O)c(C)c1OCc1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TRAP1 Q12931 5/20 0.38
HSP90B1 P14625 3/20 0.38
GLRA1 P23415 1/20 0.37
CARM1 Q86X55 1/20 0.36
SPR P35270 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HSP90AB1 P08238 3/20 0.35
AGTR2 P50052 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL25669075 0.91 BRD4 (0.43) HSP90AA1LMNAHPGDTRAP1HSP90B1
SCHEMBL30301760 0.91 BRD4 (0.43) HSP90AA1LMNAHPGDTRAP1HSP90B1
SCHEMBL31281835 0.89 TRAP1 (0.45) HSP90AA1TRAP1HSP90B1SPRHSP90AB1
SCHEMBL25212259 0.88 TGM2 (0.37) HSP90AA1LMNAHPGDTRAP1HSP90B1
SCHEMBL30970494 0.88 TGM2 (0.37) HSP90AA1LMNAHPGDTRAP1HSP90B1
SCHEMBL25669001 0.88 TRAP1 (0.48) HSP90AA1LMNAHPGDTRAP1HSP90B1
SCHEMBL30301702 0.88 TRAP1 (0.48) HSP90AA1LMNAHPGDTRAP1HSP90B1
SCHEMBL25669064 0.87 HSP90AA1 (0.41) HSP90AA1LMNAHPGDTRAP1HSP90B1
SCHEMBL30301747 0.87 HSP90AA1 (0.41) HSP90AA1LMNAHPGDTRAP1HSP90B1
SCHEMBL30368189 0.87 HSP90AA1 (0.48) HSP90AA1LMNAHPGDTRAP1HSP90B1

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-2023094834-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2023-06-01 WO disclosed