SCHEMBL8790358

SCHEMBL8790358

COc1ccc(CN(C)CCCCc2ccc(NC(=O)c3cccc4c(=O)c5cccc([N+](=O)[O-])c5[nH]c34)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.51
▸ ABCB1 P08183 4/20 0.51
▸ HTT P42858 1/20 0.47
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ OPRK1 P41145 1/20 0.40
▸ ACHE P22303 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ OPRM1 P35372 2/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BCHE P06276 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
SCHEMBL8790594 0.98 ABCG2 (0.51) ABCG2ABCB1HTTMAPTLMNA
SCHEMBL8790638 0.95 ABCG2 (0.52) ABCG2ABCB1HTTMAPTLMNA
SCHEMBL8789486 0.90 ABCG2 (0.61) ABCG2ABCB1MAPTOPRK1ACHE
SCHEMBL8789279 0.88 ABCG2 (0.53) ABCG2ABCB1MAPTOPRK1ACHE
SCHEMBL8790220 0.88 ABCG2 (0.53) ABCG2ABCB1MAPTLMNAOPRK1
SCHEMBL8790168 0.88 ABCG2 (0.62) ABCG2ABCB1MAPTOPRK1ACHE
SCHEMBL8790372 0.87 ABCG2 (0.53) ABCG2ABCB1HTTMAPTLMNA
SCHEMBL8789907 0.87 ABCG2 (0.52) ABCG2ABCB1MAPTOPRK1ACHE
SCHEMBL8789989 0.87 ABCG2 (0.63) ABCG2ABCB1MAPTLMNAOPRK1
SCHEMBL8790613 0.87 ABCG2 (0.54) ABCG2ABCB1HTTMAPTLMNA

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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