SCHEMBL8088807

SCHEMBL8088807

CC(=O)Oc1ccc2cccc3c2c1C(=O)N(I)C3=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 5/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
TTR P02766 2/20 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
SCHEMBL8088877 0.84 KMT2A (0.47) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL8088883 0.83 KDM4E (0.47) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL8087960 0.74 ALDH1A1 (0.39) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL8088824 0.74 ALDH1A1 (0.39) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL21099252 0.73 ERCC1 (0.63) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL7712333 0.70 KDM4E (0.62) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL30448667 0.69 GSK3B (0.59) KMT2AALDH1A1MEN1HSD17B10MAPT
SCHEMBL4366187 0.69 GSK3B (0.59) KMT2AALDH1A1MEN1HSD17B10MAPT
SCHEMBL8219437 0.68 KDM4E (0.56) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL3795231 0.67 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1MEN1HPGD

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
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US claimed
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US disclosed