SCHEMBL8836072

SCHEMBL8836072

COc1ccc(CCCNCCCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.66
▸ MAPT P10636 4/20 0.52
▸ TP53 P04637 1/20 0.48
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ ABCB1 P08183 2/20 0.45
▸ AKT1 P31749 2/20 0.44

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
SCHEMBL8789125 0.99 ABCG2 (0.65) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8790688 0.94 ABCG2 (0.70) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8789181 0.94 ABCG2 (0.69) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8790131 0.94 ABCG2 (0.72) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8788917 0.94 ABCG2 (0.72) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8790230 0.91 ABCG2 (0.66) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8789900 0.88 ABCG2 (0.68) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8836061 0.88 ABCG2 (0.63) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8790888 0.87 ABCG2 (0.60) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8789743 0.87 ABCG2 (0.58) ABCG2MAPTTP53MEN1KMT2A

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-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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