SCHEMBL19268973

SCHEMBL19268973

CC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(c(-c5ccc(C(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.86
▸ CYCS P99999 4/20 0.83
▸ ENPP2 Q13822 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ TERT O14746 5/20 0.49
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TTR P02766 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
SCHEMBL709532 0.93 TOP1 (1.00) TOP1CYCSENPP2ABCG2TERT
SCHEMBL29354037 0.93 TOP1 (1.00) TOP1CYCSENPP2ABCG2TERT
SCHEMBL16552331 0.91 TOP1 (0.71) TOP1CYCSENPP2ABCG2TERT
SCHEMBL3047596 0.91 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
SCHEMBL19640853 0.91 CYCS (1.00) TOP1CYCSENPP2ABCG2TERT
SCHEMBL12842181 0.91 CYCS (0.97) TOP1CYCSENPP2ABCG2TERT
SCHEMBL31463632 0.91 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
SCHEMBL17183606 0.91 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
SCHEMBL1497141 0.91 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT
Hydrochloric Acid SCHEMBL17002623 0.91 TOP1 (0.97) TOP1CYCSENPP2ABCG2TERT

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-20170242034-A1 METHODS FOR IN VITRO INVESTIGATING MITOCHONDRIAL REPLICATION DYSFUNCTION IN A BIOLOGICAL SAMPLE, KITS AND USES THEREOF, THERAPEUTIC METHODS AGAINST PROGEROID-LIKE SYNDROMES OR SYMPTOMES AND SCREENING METHOD FOR IDENTIFYING PARTICULAR PROTEASE INHIBITOR(S) AND/OR NITROSO-REDOX STRESS SCAVENGER COMPOUND(S) Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-08-24 — — US disclosed
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