SCHEMBL5868985

SCHEMBL5868985

COC(=O)CCc1c2nc(c(-c3nccn3C)c3ccc([nH]3)c(CCC(=O)OC)c3nc(c(-c4nccn4C)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ SRC P12931 1/20 0.35
▸ TERT O14746 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TOP1 P11387 3/20 0.34
▸ CYCS P99999 3/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5869005 0.94 ABCG2 (0.42) ABCG2KDM4EEGFRSRCTERT
SCHEMBL5574843 0.91 STAT3 (0.35) ABCG2KDM4EPDE3BPDE3AEGFR
SCHEMBL5868954 0.88 ABCG2 (0.36) ABCG2KDM4EPDE3BPDE3ATERT
SCHEMBL5868950 0.88 ABCG2 (0.36) ABCG2KDM4EPDE3BPDE3ATERT
SCHEMBL13199288 0.84 ABCG2 (0.35) ABCG2KDM4EPDE3BPDE3AEGFR
SCHEMBL5868982 0.82 TOP1 (0.35) ABCG2KDM4ETERTHSD17B10HPGD
SCHEMBL5868975 0.82 TSHR (0.38) ALDH1A1TSHR
SCHEMBL13199286 0.80 ABCG2 (0.33) ABCG2CYCS
SCHEMBL1410106 0.80 TERT (0.43) ABCG2KDM4ETERTHSD17B10TOP1
SCHEMBL13214924 0.79 ABCG2 (0.30) ABCG2CYCS

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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