SCHEMBL24672258

SCHEMBL24672258

C[C@H](O)CN1CCN(Cc2ccccc2)CCN([C@H](CO)[C@H](O)CO)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
APOBEC3A P31941 1/20 0.50
RECQL P46063 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
IGF1R P08069 1/20 0.46
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
MC4R P32245 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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 0.91 SIGMAR1 (0.56) KDM4EAPOBEC3ARECQLAPOBEC3GMEN1
SCHEMBL24673260 0.88 APOBEC3A (0.51) KDM4EAPOBEC3ARECQLAPOBEC3GMEN1
SCHEMBL24673200 0.88 PKM (0.43) KDM4EAPOBEC3ARECQLAPOBEC3GMEN1
SCHEMBL24673196 0.87 HDAC1 (0.47) KDM4EAPOBEC3ARECQLAPOBEC3GMEN1
SCHEMBL1394535 0.85 KDM4E (0.68) KDM4EMEN1KMT2ALMNAGAA
SCHEMBL1394539 0.85 KDM4E (0.68) KDM4EMEN1KMT2ALMNAGAA
SCHEMBL1394677 0.85 KDM4E (0.68) KDM4EMEN1KMT2ALMNAGAA
SCHEMBL24672242 0.85 KDM4E (0.68) KDM4EMEN1KMT2ALMNAGAA
SCHEMBL21797152 0.85 KDM4E (0.68) KDM4EMEN1KMT2ALMNAGAA
SCHEMBL24673201 0.84 MPO (0.52) KDM4EAPOBEC3ARECQLAPOBEC3GMEN1

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