SCHEMBL8790372

SCHEMBL8790372

COc1ccc(CCNCCCCc2ccc(NC(=O)c3cccc4c(=O)c5cccc([N+](=O)[O-])c5[nH]c34)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.53
▸ ABCB1 P08183 3/20 0.49
▸ HTT P42858 1/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL8790613 0.98 ABCG2 (0.54) ABCG2ABCB1HTTKCNH2MAPT
SCHEMBL8790651 0.96 ABCG2 (0.57) ABCG2ABCB1HTTKCNH2MAPT
SCHEMBL8790235 0.88 ABCG2 (0.56) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8789297 0.88 ABCG2 (0.56) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8790358 0.87 ABCG2 (0.51) ABCG2ABCB1HTTMAPTMEN1
SCHEMBL8789922 0.87 ABCG2 (0.55) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8790024 0.87 ABCG2 (0.71) ABCG2ABCB1MEN1KMT2ALMNA
SCHEMBL8790594 0.87 ABCG2 (0.51) ABCG2ABCB1HTTMAPTMEN1
SCHEMBL8835766 0.86 ABCG2 (0.70) ABCG2ABCB1MEN1KMT2ALMNA
SCHEMBL8790484 0.85 ABCG2 (0.57) ABCG2ABCB1MAPTMEN1KMT2A

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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