SCHEMBL23984352

SCHEMBL23984352

COC1CC(OC)c2cc(CCN)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
TAAR1 Q96RJ0 8/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
NUDT1 P36639 1/20 0.43
BACE1 P56817 1/20 0.43
APEX1 P27695 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 4/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PNMT P11086 1/20 0.39

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
SCHEMBL15614975 0.71 NUDT1 (0.53) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL16905396 0.70 NUDT1 (0.47) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL27824291 0.70 KDM4E (0.67) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL29351641 0.68 ATM (1.00) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL210639 0.68 ATM (1.00) KDM4EATMTAAR1TSHRMAPK1
Bromide SCHEMBL11470661 0.67 ATM (0.96) KDM4EATMTAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL3745006 0.67 ATM (0.96) KDM4EATMTAAR1TSHRMAPK1
Iodide SCHEMBL10518637 0.67 ATM (0.96) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL18970227 0.67 KDM4E (0.41) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL17186198 0.67 NUDT1 (0.51) KDM4EATMTAAR1TSHRMAPK1

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-2021220053-A2 COMPOSITIONS CONTAINING NUCLEIC ACID NANOPARTICLES WITH MODULAR FUNCTIONALITY Sixfold Bioscience Ltd. (GB) 2021-11-04 WO disclosed