SCHEMBL24722607

SCHEMBL24722607

O=C(O)CN(CCOCCN(Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 15/20 0.41
CA2 P00918 15/20 0.41

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
SCHEMBL24722998 0.87 BLM (0.38) BLMPMP22HSD17B10MRGPRX4KDM4E
SCHEMBL29892650 0.86 KDM4E (0.48) BLMPMP22MRGPRX4KDM4EALOX15
SCHEMBL2349945 0.86 KDM4E (0.48) BLMPMP22MRGPRX4KDM4EALOX15
SCHEMBL30960193 0.85 KDM4E (0.47) BLMPMP22MRGPRX4KDM4EALOX15
SCHEMBL15865623 0.85 KDM4E (0.47) BLMPMP22MRGPRX4KDM4EALOX15
SCHEMBL31679405 0.85 MRGPRX4 (0.40) BLMPMP22HSD17B10MRGPRX4KDM4E
SCHEMBL23568184 0.84 KDM4E (0.50) MRGPRX4KDM4EALOX15TSHRACMSD
SCHEMBL24627236 0.84 MRGPRX4 (0.41) BLMPMP22HSD17B10MRGPRX4KDM4E
SCHEMBL31156712 0.84 MRGPRX4 (0.41) BLMPMP22HSD17B10MRGPRX4KDM4E
SCHEMBL12453251 0.83 KDM4E (0.46) MRGPRX4KDM4EALOX15TSHRACMSD

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-2022232943-A1 CHELATORS FOR RADIOMETALS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-11-10 WO disclosed