SCHEMBL31056223

SCHEMBL31056223

COC(=O)c1cc(CN(C)C)c(OCc2ccccc2)c(C2OCCO2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC6A5 Q9Y345 3/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
APP P05067 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
GLRA1 P23415 1/20 0.35
EGFR P00533 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
SCHEMBL31056135 0.91 MEN1 (0.42) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL31056582 0.83 LMNA (0.56) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL31055907 0.83 LMNA (0.56) LMNAHPGDALDH1A1KDM4EUSP2
SCHEMBL31056523 0.81 HPGD (0.53) LMNAHPGDALDH1A1KDM4EUSP2
SCHEMBL31056024 0.78 LMNA (0.50) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL31056267 0.78 LMNA (0.50) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL31056108 0.78 HPGD (0.50) LMNAHPGDKDM4EHSD17B10MEN1
SCHEMBL31056810 0.76 MEN1 (0.44) LMNAHPGDSLC6A5MEN1KMT2A
SCHEMBL31056278 0.75 MRGPRX4 (0.47) LMNAHPGDSLC6A5HSD17B10MEN1
SCHEMBL31056249 0.74 KMT2A (0.45) LMNAHPGDALDH1A1KDM4EMEN1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed