SCHEMBL5869005

SCHEMBL5869005

COC(=O)CCc1c2nc(c(-c3nccn3C)c3ccc([nH]3)c(CCC(=O)OC)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ CYCS P99999 4/20 0.39
▸ TOP1 P11387 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ TERT O14746 4/20 0.37
▸ TSHR P16473 1/20 0.37
▸ EGFR P00533 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CASP3 P42574 1/20 0.35

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
SCHEMBL5868985 0.94 ABCG2 (0.40) ABCG2CYCSTOP1KDM4ETERT
SCHEMBL5868950 0.89 ABCG2 (0.36) ABCG2CYCSTOP1KDM4ETERT
SCHEMBL5868954 0.89 ABCG2 (0.36) ABCG2CYCSTOP1KDM4ETERT
SCHEMBL5868982 0.88 TOP1 (0.35) ABCG2CYCSTOP1KDM4ETERT
SCHEMBL5574843 0.85 STAT3 (0.35) ABCG2CYCSKDM4ETSHREGFR
SCHEMBL13199288 0.85 ABCG2 (0.35) ABCG2CYCSTOP1KDM4EEGFR
SCHEMBL13214924 0.79 ABCG2 (0.30) ABCG2CYCS
SCHEMBL13199286 0.78 ABCG2 (0.33) ABCG2CYCS
SCHEMBL1410167 0.78 ABCG2 (0.57) ABCG2CYCSTOP1KDM4ETERT
SCHEMBL5868975 0.76 TSHR (0.38) TSHRALDH1A1

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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