SCHEMBL9710973

SCHEMBL9710973

O=C(O)c1c(C(=O)O)c(-c2cccnc2)n2c1CCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.51
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
KMO O15229 2/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 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
SCHEMBL7946402 0.85 KMT2A (0.43) KMT2AKDM4EMEN1MKNK1MKNK2
SCHEMBL7957097 0.85 KMT2A (0.43) KMT2AKDM4EMEN1MKNK1MKNK2
SCHEMBL7946425 0.85 KDM4E (0.49) KMT2AKDM4EMEN1MKNK1MKNK2
SCHEMBL1514634 0.84 KMT2A (0.76) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9066017 0.83 KMT2A (0.70) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9065383 0.83 KMT2A (0.73) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL7946379 0.80 CYP11B2 (0.42) KMT2AKDM4EMEN1MKNK1MKNK2
SCHEMBL7953616 0.80 KMT2A (0.43) KMT2AKDM4EMEN1MKNK1MKNK2
SCHEMBL9711224 0.78 KMT2A (0.70) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL7954909 0.78 MKNK1 (0.41) KMT2AMEN1MKNK1MKNK2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479951-A1 BIS-ACYLOXYMETHYL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1992-04-15 EP disclosed
WO-1991000093-A1 BIS-ACYLOXYMETHYL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1991-01-10 WO disclosed