SCHEMBL8080579

SCHEMBL8080579

CC(=O)Oc1c(I)cc2cccc3c2c1C(=O)NC3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GSK3B P49841 1/20 0.36
▸ ADK P55263 1/20 0.36

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
SCHEMBL28839422 0.86 ALDH1A1 (0.56) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL8094185 0.85 NPSR1 (0.48) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL8080599 0.76 KDM4E (0.41) GAAKMT2AALDH1A1KDM4EPOLB
SCHEMBL28839421 0.73 KMT2A (0.45) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL28935123 0.70 PARP1 (0.63) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL5051981 0.70 PARP1 (0.62) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL6634972 0.69 KDM4E (0.54) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL1356477 0.69 PARP1 (0.45) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL1052126 0.69 PARP1 (0.56) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL29069230 0.68 PARP1 (0.55) GAAKMT2AALDH1A1MAPTKDM4E

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