SCHEMBL8789987

SCHEMBL8789987

COc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)c(C)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.47
▸ ABCB1 P08183 2/20 0.46
▸ MAPT P10636 2/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ ACHE P22303 7/20 0.40
▸ BCHE P06276 6/20 0.40
▸ TP53 P04637 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL8790718 0.93 ABCG2 (0.47) ABCG2ABCB1MAPTOPRM1TMEM97
SCHEMBL8789946 0.91 ABCG2 (0.48) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8836378 0.91 ABCG2 (0.45) ABCG2ABCB1MAPTOPRM1TMEM97
SCHEMBL8790242 0.90 ABCG2 (0.56) ABCG2MAPTOPRM1TMEM97SIGMAR1
SCHEMBL8789576 0.89 ABCG2 (0.56) ABCG2ABCB1MAPTOPRM1TMEM97
SCHEMBL8789523 0.89 ABCG2 (0.51) ABCG2ABCB1MAPTOPRM1TMEM97
SCHEMBL8792167 0.88 ABCG2 (0.47) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8790309 0.86 ABCG2 (0.52) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8790765 0.86 ABCG2 (0.56) ABCG2ABCB1MAPTOPRM1TMEM97
SCHEMBL8790818 0.85 ABCG2 (0.52) ABCG2ABCB1MAPTOPRM1TMEM97

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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