SCHEMBL8790604

SCHEMBL8790604

COc1ccc(CN(C)CCCc2cccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.54
▸ ABCB1 P08183 2/20 0.54
▸ TP53 P04637 2/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ ACHE P22303 2/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ OPRM1 P35372 3/20 0.44
▸ TMEM97 Q5BJF2 3/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL8790240 0.96 ABCG2 (0.55) ABCG2ABCB1TP53OPRK1ACHE
SCHEMBL8790168 0.94 ABCG2 (0.62) ABCG2ABCB1TP53OPRK1ACHE
SCHEMBL8791638 0.93 ABCG2 (0.51) ABCG2ABCB1TP53OPRK1ACHE
SCHEMBL8789486 0.91 ABCG2 (0.61) ABCG2ABCB1TP53OPRK1ACHE
SCHEMBL8790178 0.91 ABCG2 (0.53) ABCG2ABCB1OPRK1OPRM1TMEM97
SCHEMBL8790309 0.90 ABCG2 (0.52) ABCG2ABCB1TP53OPRK1ACHE
SCHEMBL8789648 0.89 ABCG2 (0.63) ABCG2ABCB1TP53OPRK1ACHE
SCHEMBL8789457 0.89 ABCG2 (0.60) ABCG2ABCB1TP53OPRK1ACHE
SCHEMBL8789523 0.89 ABCG2 (0.51) ABCG2ABCB1TP53OPRK1OPRM1
SCHEMBL8790193 0.89 ABCG2 (0.51) ABCG2ABCB1TP53OPRK1ACHE

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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