SCHEMBL8790240

SCHEMBL8790240

COc1ccc(CN(C)CCc2cccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.55
▸ ABCB1 P08183 2/20 0.55
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ACHE P22303 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ OPRM1 P35372 2/20 0.44
▸ TMEM97 Q5BJF2 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8790604 0.96 ABCG2 (0.54) ABCG2ABCB1TP53KDM4EACHE
SCHEMBL8789648 0.93 ABCG2 (0.63) ABCG2ABCB1TP53KDM4EACHE
SCHEMBL8790193 0.93 ABCG2 (0.51) ABCG2ABCB1TP53KDM4EACHE
SCHEMBL8789457 0.90 ABCG2 (0.60) ABCG2ABCB1TP53ACHECYP3A4
SCHEMBL8789662 0.90 ABCG2 (0.64) ABCG2ABCB1TP53CYP1A2CYP3A4
SCHEMBL8790168 0.89 ABCG2 (0.62) ABCG2ABCB1TP53ACHECYP3A4
SCHEMBL8791638 0.89 ABCG2 (0.51) ABCG2ABCB1TP53KDM4EACHE
SCHEMBL8790309 0.89 ABCG2 (0.52) ABCG2ABCB1TP53ACHEOPRM1
SCHEMBL8789486 0.89 ABCG2 (0.61) ABCG2ABCB1TP53ACHECYP3A4
SCHEMBL8788867 0.87 ABCG2 (0.57) ABCG2ABCB1TP53ACHECYP3A4

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 5 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-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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