SCHEMBL8790638

SCHEMBL8790638

COc1ccc(CN(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5cccc([N+](=O)[O-])c5[nH]c34)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.52
▸ ABCB1 P08183 4/20 0.52
▸ HTT P42858 1/20 0.48
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ACHE P22303 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ CDC25C P30307 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 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
SCHEMBL8790594 0.96 ABCG2 (0.51) ABCG2ABCB1HTTMAPTLMNA
SCHEMBL8790358 0.95 ABCG2 (0.51) ABCG2ABCB1HTTMAPTLMNA
SCHEMBL8789648 0.90 ABCG2 (0.63) ABCG2ABCB1MAPTACHEMEN1
SCHEMBL8789264 0.88 ABCG2 (0.55) ABCG2ABCB1MAPTACHEMEN1
SCHEMBL8789696 0.88 ABCG2 (0.53) ABCG2ABCB1MAPTLMNAACHE
SCHEMBL8790651 0.88 ABCG2 (0.57) ABCG2ABCB1HTTMAPTLMNA
SCHEMBL8789595 0.88 ABCG2 (0.54) ABCG2ABCB1MAPTACHEMEN1
SCHEMBL8789541 0.87 ABCG2 (0.65) ABCG2ABCB1MAPTLMNAACHE
SCHEMBL8789736 0.87 ABCG2 (0.55) ABCG2ABCB1MAPTACHEMEN1
SCHEMBL8790243 0.86 ABCG2 (0.55) ABCG2ABCB1MAPTLMNAACHE

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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