SCHEMBL26089781

SCHEMBL26089781

O=C(O)c1cc(C(=O)O)cc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4cc(C(=O)O)cc(C(=O)O)c4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c1.[Fe]

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYCS P99999 4/20 0.78
▸ TOP1 P11387 4/20 0.69
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ ENPP2 Q13822 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ TERT O14746 3/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL30999674 0.99 CYCS (0.80) CYCSTOP1STAT3STAT1ENPP2
SCHEMBL29684505 0.93 CYCS (0.83) CYCSTOP1STAT3STAT1ENPP2
SCHEMBL14246889 0.93 CYCS (0.83) CYCSTOP1STAT3STAT1ENPP2
SCHEMBL18917438 0.89 TOP1 (0.69) CYCSTOP1STAT3STAT1ENPP2
SCHEMBL12842182 0.89 CYCS (0.97) CYCSTOP1STAT3STAT1ENPP2
SCHEMBL28479053 0.87 CYCS (0.67) CYCSTOP1STAT3STAT1ENPP2
SCHEMBL25394852 0.87 TOP1 (0.91) CYCSTOP1STAT3STAT1ENPP2
SCHEMBL29556585 0.87 TOP1 (0.91) CYCSTOP1STAT3STAT1ENPP2
SCHEMBL16418477 0.87 TOP1 (0.91) CYCSTOP1STAT3STAT1ENPP2
SCHEMBL25395869 0.87 TOP1 (0.91) CYCSTOP1STAT3STAT1ENPP2

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
CN-118159275-A Antidote, kit for antidote, and novel inclusion complex 学校法人同志社 2024-06-07 — — CN disclosed
WO-2023068193-A1 DETOXIFYING AGENT, DETOXIFYING AGENT KIT, AND NOVEL INCLUSION COMPLEX 学校法人同志社 2023-04-27 — — WO disclosed
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