SCHEMBL5574843

SCHEMBL5574843

COC(=O)CCc1c2nc(c(-c3nccn3C)c3ccc([nH]3)c(CCC(=O)OC)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ EGFR P00533 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYCS P99999 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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 0.91 ABCG2 (0.40) ABCG2PDE3BPDE3AKDM4EEGFR
SCHEMBL5869005 0.85 ABCG2 (0.42) ABCG2KDM4EEGFRALDH1A1HPGD
SCHEMBL7717019 0.83 STAT3 (0.38) STAT3STAT1
SCHEMBL7161173 0.82 STAT3 (0.38) STAT3STAT1
SCHEMBL5868950 0.81 ABCG2 (0.36) ABCG2PDE3BPDE3AKDM4ECYCS
SCHEMBL5868954 0.81 ABCG2 (0.36) ABCG2PDE3BPDE3AKDM4ECYCS
SCHEMBL1410123 0.81 STAT3 (0.50) STAT3STAT1KDM4EHSD17B10
SCHEMBL13199288 0.78 ABCG2 (0.35) ABCG2PDE3BPDE3AKDM4EEGFR
SCHEMBL13199286 0.75 ABCG2 (0.33) ABCG2CYCS
SCHEMBL5868975 0.74 TSHR (0.38) ALDH1A1MEN1GAATSHRKMT2A

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
US-7192650-B2 Element having porphyrin polymer fixed on a substrate and method of preparing the same NARA INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2007-03-20 — — US disclosed
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