SCHEMBL8790131

SCHEMBL8790131

COc1ccc(CCNCCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.72
▸ MAPT P10636 4/20 0.54
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ ABCB1 P08183 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ AKT1 P31749 2/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL8788917 1.00 ABCG2 (0.72) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL8789181 0.96 ABCG2 (0.69) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL8836072 0.94 ABCG2 (0.66) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL8789125 0.93 ABCG2 (0.65) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL8790688 0.91 ABCG2 (0.70) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL8790060 0.90 ABCG2 (0.72) ABCG2MEN1KMT2AABCB1AKT1
SCHEMBL8788465 0.90 ABCG2 (0.72) ABCG2MEN1KMT2AABCB1AKT1
SCHEMBL8789266 0.88 ABCG2 (0.72) ABCG2MAPTMEN1KMT2AABCB1
SCHEMBL8790024 0.88 ABCG2 (0.71) ABCG2MEN1KMT2AABCB1AKT1
SCHEMBL8835766 0.87 ABCG2 (0.70) ABCG2MEN1KMT2AABCB1AKT1

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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