SCHEMBL8788867

SCHEMBL8788867

COc1ccc(CN(C)CCNc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.57
▸ ABCB1 P08183 2/20 0.57
▸ OPRK1 P41145 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ OPRM1 P35372 3/20 0.43
▸ TMEM97 Q5BJF2 3/20 0.43
▸ SIGMAR1 Q99720 3/20 0.43
▸ TP53 P04637 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL8789457 0.93 ABCG2 (0.60) ABCG2ABCB1OPRK1MAPTACHE
SCHEMBL8789648 0.92 ABCG2 (0.63) ABCG2ABCB1OPRK1MAPTACHE
SCHEMBL8790168 0.91 ABCG2 (0.62) ABCG2ABCB1OPRK1MAPTACHE
SCHEMBL8789486 0.90 ABCG2 (0.61) ABCG2ABCB1OPRK1MAPTACHE
SCHEMBL8789576 0.89 ABCG2 (0.56) ABCG2ABCB1OPRK1MAPTACHE
SCHEMBL8790765 0.89 ABCG2 (0.56) ABCG2ABCB1OPRK1MAPTACHE
SCHEMBL8790357 0.87 ABCG2 (0.54) ABCG2ABCB1OPRK1MAPTACHE
SCHEMBL8790240 0.87 ABCG2 (0.55) ABCG2ABCB1OPRK1ACHEBCHE
SCHEMBL8789662 0.86 ABCG2 (0.64) ABCG2ABCB1MAPTTP53CYP3A4
SCHEMBL8790604 0.86 ABCG2 (0.54) ABCG2ABCB1OPRK1MAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 — — EP claimed
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 claimed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 — — EP claimed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 — — WO claimed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP claimed
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-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 — — EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 — — WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP disclosed
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