SCHEMBL5868950

SCHEMBL5868950

COC(=O)CCc1c2nc(c(-c3cccc(C=O)c3)c3ccc([nH]3)c(-c3nccn3C)c3nc(c(CCC(=O)OC)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ CYCS P99999 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ TERT O14746 3/20 0.31
▸ TOP1 P11387 1/20 0.31

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
SCHEMBL5868954 1.00 ABCG2 (0.36) ABCG2CYCSKDM4EPDE3BPDE3A
SCHEMBL5869005 0.89 ABCG2 (0.42) ABCG2CYCSKDM4ETERTTOP1
SCHEMBL5868985 0.88 ABCG2 (0.40) ABCG2CYCSKDM4EPDE3BPDE3A
SCHEMBL5868945 0.83 CYCS (0.38) ABCG2CYCSTERTTOP1
SCHEMBL5574843 0.81 STAT3 (0.35) ABCG2CYCSKDM4EPDE3BPDE3A
SCHEMBL13199288 0.81 ABCG2 (0.35) ABCG2CYCSKDM4EPDE3BPDE3A
SCHEMBL5868982 0.79 TOP1 (0.35) ABCG2CYCSKDM4ETERTTOP1
SCHEMBL13199286 0.76 ABCG2 (0.33) ABCG2CYCS
SCHEMBL13214924 0.75 ABCG2 (0.30) ABCG2CYCS
SCHEMBL10314954 0.74 TOP1 (0.43) ABCG2CYCSKDM4ETERTTOP1

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
US-7094866-B2 Covalently fixed porphyrin polymer having porphyrin metal complex substituted with coordinating hetero aromatic ring as constituting unit thereof,and method of producing the same NARA INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2006-08-22 — — US disclosed
US-20040072988-A1 Covalently fixed porphyrin polymer having porphyrin metal complex substituted with coordinating hetero aromatic ring as constituting unit thereof,and method of producing the same NARA INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2004-04-15 — — US disclosed
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