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SCHEMBL17177682

SCHEMBL17177682

O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)C3=N/C(=C(/c4ccc(C(=O)O)cc4)C4C=CC2=N4)C=C3)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ CYCS P99999 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL17173403 0.87 ALOX5 (0.32) KDM4EALDH1A1HPGDKMT2A
SCHEMBL21768343 0.76 TP53 (0.43) TOP1CYCSKDM4EALDH1A1HPGD
SCHEMBL17183610 0.76 TP53 (0.43) TOP1CYCSKDM4EALDH1A1HPGD
SCHEMBL25395879 0.73 NPC1 (0.47) KDM4EALDH1A1HPGD
SCHEMBL483513 0.73 NPC1 (0.47) KDM4EALDH1A1HPGD
SCHEMBL25394857 0.73 NPC1 (0.47) KDM4EALDH1A1HPGD
SCHEMBL22463700 0.72 CA2 (0.52) KMT2A
SCHEMBL12331453 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1977054 0.71 ALDH1A1 (0.53) KDM4EALDH1A1HPGDKMT2A
SCHEMBL20343490 0.71 — —

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-20150294796-A1 ASSEMBLIES AND METHODS OF STABILIZATION NORTH CAROLINA STATE UNIVERSITY (US) 2015-10-15 — — US disclosed
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