SCHEMBL23980701

SCHEMBL23980701

COc1cc2c(OC)cccc2cc1CCS

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NQO1 P15559 1/20 0.42
SLC2A1 P11166 1/20 0.40
NOS1 P29475 2/20 0.39
RAB9A P51151 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
FLT3 P36888 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MCHR1 Q99705 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTR6 P50406 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 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
SCHEMBL29919905 0.76 NQO1 (0.67) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL8393507 0.76 NQO1 (0.67) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL29862025 0.74 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL8391116 0.74 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL4937259 0.73 BACE1 (0.50) KDM4EALDH1A1HPGDHSD17B10NOS1
SCHEMBL9166541 0.73 CA1 (0.46) KDM4EALDH1A1HPGDHSD17B10HTR2A
SCHEMBL23980609 0.72 ADRA1A (0.47) SLC2A1HTR2APDE10A
SCHEMBL1003225 0.71 NQO1 (0.72) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL20785379 0.71 TAAR1 (0.64) ALDH1A1
SCHEMBL30949381 0.71 NQO1 (0.72) KDM4EALDH1A1HPGDHSD17B10NQO1

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-2021222542-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-04 WO disclosed