SCHEMBL17251677

SCHEMBL17251677

COc1cccc(OC)c1-c1c2nc(c(-c3cc(C)cc([N+](=O)[O-])c3)c3ccc([nH]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4cc(C)cc([N+](=O)[O-])c4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ TERT O14746 1/20 0.39
▸ AMY1A P0DUB6 2/20 0.39
▸ TNKS O95271 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ NPBWR1 P48145 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PDE4D Q08499 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 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
SCHEMBL18593559 0.94 ABCG2 (0.41) ABCG2TERTAMY1ATNKSTNKS2
SCHEMBL29408466 0.78 TERT (0.45) ABCG2TERTENPP2
SCHEMBL9581910 0.78 TERT (0.45) ABCG2TERTENPP2
SCHEMBL18593558 0.76 TOP1 (0.45) ABCG2TERTENPP2
SCHEMBL5016668 0.76 TERT (0.49) ABCG2TERTENPP2
SCHEMBL479431 0.76 TERT (0.49) ABCG2TERTENPP2
SCHEMBL5011964 0.76 TERT (0.49) ABCG2TERTENPP2
SCHEMBL8953572 0.76 MEN1 (0.55) MMP2MMP9MMP8MMP13L3MBTL1
SCHEMBL16270305 0.75 TERT (0.54) ABCG2TERTNPBWR1MMP2MMP9
SCHEMBL17251679 0.74 ABCG2 (0.41) ABCG2TERTENPP2

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
WO-2015169763-A1 PORPHYRIN MOLECULAR CATALYSTS FOR SELECTIVE ELECTROCHEMICAL REDUCTION OF CO2 INTO CO CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-11-12 — — WO disclosed
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