SCHEMBL29032856

SCHEMBL29032856

Cc1cc(O)c2c(c1I)C(=O)c1c(I)c(O)c(I)c(O)c1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ KDM4E B2RXH2 5/20 0.61
▸ USP2 O75604 2/20 0.61
▸ ALDH1A1 P00352 5/20 0.53
▸ RECQL P46063 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ ACLY P53396 4/20 0.46
▸ ELANE P08246 5/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAOA P21397 3/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ CYP1A1 P04798 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ BRCA1 P38398 2/20 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
SCHEMBL29032857 0.79 ACLY (0.70) MAPTMEN1KMT2AKDM4EUSP2
1,4,5,8-Tetrahydroxy-2,6-Dimethylanthroquinone SCHEMBL30384695 0.77 MEN1 (1.00) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL27817601 0.74 MAPT (0.83) MAPTMEN1KMT2AKDM4EUSP2
Cynodontin SCHEMBL31310659 0.72 MAPT (0.88) MAPTMEN1KMT2AKDM4EUSP2
Cynodontin SCHEMBL9172388 0.72 MAPT (0.88) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL16431195 0.70 MAPT (1.00) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL27865563 0.69 ELANE (0.66) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL23271972 0.67 MAPT (0.59) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL30003480 0.67 MAPT (0.59) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL27879750 0.66 ACLY (0.67) MAPTMEN1KMT2AKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116172994-B Application of anthraquinone derivative in preparation of anti-pancreatitis medicine 四川大学华西医院 2023-07-04 — — CN disclosed
CN-116172994-B Application of anthraquinone derivative in preparation of anti-pancreatitis medicine 四川大学华西医院 2023-07-04 — — CN disclosed
CN-116172994-A Application of anthraquinone derivative in preparation of anti-pancreatitis medicine 四川大学华西医院 2023-05-30 — — CN disclosed
CN-116172994-A Application of anthraquinone derivative in preparation of anti-pancreatitis medicine 四川大学华西医院 2023-05-30 — — CN disclosed
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