SCHEMBL5868945

SCHEMBL5868945

COC(=O)C(C)c1c2nc(c(-c3cccc(C=O)c3)c3ccc([nH]3)c(-c3nccn3C)c3nc(c(C(C)C(=O)OC)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYCS P99999 4/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ TERT O14746 1/20 0.32
▸ TOP1 P11387 3/20 0.31
▸ BRD4 O60885 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
SCHEMBL5868950 0.83 ABCG2 (0.36) CYCSABCG2TERTTOP1
SCHEMBL5868954 0.83 ABCG2 (0.36) CYCSABCG2TERTTOP1
SCHEMBL10314954 0.76 TOP1 (0.43) CYCSABCG2TERTTOP1
SCHEMBL1410167 0.72 ABCG2 (0.57) CYCSABCG2TERTTOP1
SCHEMBL1410106 0.71 TERT (0.43) CYCSABCG2TERTTOP1
SCHEMBL5869005 0.70 ABCG2 (0.42) CYCSABCG2TERTTOP1
SCHEMBL1517541 0.69 ABCG2 (0.42) CYCSABCG2TERTTOP1
SCHEMBL5868962 0.69 — —
SCHEMBL5868985 0.67 ABCG2 (0.40) CYCSABCG2TERTTOP1
SCHEMBL1409926 0.66 TOP1 (0.44) CYCSABCG2TERTTOP1

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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