SCHEMBL8789706

SCHEMBL8789706

COc1ccc(CNCCCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.62
▸ ABCB1 P08183 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ AKT1 P31749 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PARP14 Q460N5 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL8790230 0.93 ABCG2 (0.66) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8789900 0.93 ABCG2 (0.68) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8789751 0.91 ABCG2 (0.69) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8789201 0.87 ABCG2 (0.59) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8789266 0.86 ABCG2 (0.72) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8790216 0.86 ABCG2 (0.62) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8836072 0.85 ABCG2 (0.66) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8788702 0.85 ABCG2 (0.59) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8788465 0.85 ABCG2 (0.72) ABCG2ABCB1MEN1KMT2AAKT1
SCHEMBL8789125 0.85 ABCG2 (0.65) ABCG2ABCB1TP53MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 — — EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 — — US disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP disclosed
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