SCHEMBL8789550

SCHEMBL8789550

COc1ccc(CN(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5n(C)c34)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.46
▸ ABCG2 Q9UNQ0 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SMPD1 P17405 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 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
SCHEMBL8789642 0.94 ABCB1 (0.46) ABCB1ABCG2KDM4EMAPTLMNA
SCHEMBL8789875 0.88 SMPD1 (0.45) ABCB1ABCG2KDM4EMAPTLMNA
SCHEMBL8807951 0.81 BCHE (0.45) ABCB1ABCG2KDM4EMAPTLMNA
SCHEMBL8789541 0.81 ABCG2 (0.65) ABCB1ABCG2KDM4EMAPTLMNA
SCHEMBL8807050 0.81 ABCB1 (0.45) ABCB1ABCG2KDM4EMAPK1BCHE
SCHEMBL8789648 0.81 ABCG2 (0.63) ABCB1ABCG2KDM4EMAPTBCHE
SCHEMBL4048156 0.80 BCHE (0.54) ABCB1ABCG2KDM4EMAPK1BCHE
SCHEMBL8789264 0.80 ABCG2 (0.55) ABCB1ABCG2KDM4EMAPTMAPK1
SCHEMBL8789595 0.79 ABCG2 (0.54) ABCB1ABCG2KDM4EMAPTMAPK1
SCHEMBL4048160 0.79 ABCB1 (0.58) ABCB1ABCG2KDM4EMAPK1BCHE

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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