SCHEMBL24673327

SCHEMBL24673327

Cc1ccc(CN2CCN([C@H](CO)[C@H](O)CO)CCN([C@H](CO)[C@H](O)CO)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
ATM Q13315 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 3/20 0.43
GFER P55789 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL24673250 0.85 SIGMAR1 (0.56) POLBALDH1A1LMNAATMMEN1
SCHEMBL24673197 0.82 KDM4E (0.45) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL24672858 0.82 HDAC4 (0.46) ALDH1A1LMNAATMMEN1KMT2A
SCHEMBL24673260 0.81 APOBEC3A (0.51) POLBALDH1A1LMNAATMMEN1
SCHEMBL24673209 0.81 PGK1 (0.41) ALDH1A1LMNAATMMEN1KMT2A
SCHEMBL24672258 0.80 KDM4E (0.51) POLBALDH1A1LMNAATMMEN1
SCHEMBL24672262 0.79 POLB (0.38) POLBLMNAKMT2ASMN1; SMN2MAPK1
SCHEMBL24673200 0.78 PKM (0.43) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL24673196 0.78 HDAC1 (0.47) ALDH1A1LMNAATMMEN1KMT2A
SCHEMBL7989530 0.77 LMNA (0.83) POLBALDH1A1LMNAATMMEN1

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-2022204065-A1 IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-29 WO disclosed