SCHEMBL8790818

SCHEMBL8790818

COc1ccc(CN(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(C)c5[nH]c34)c(C)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.52
▸ ABCB1 P08183 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ GAA P10253 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL8792324 0.93 ABCG2 (0.50) ABCG2ABCB1MAPTCYP3A4GAA
SCHEMBL8789019 0.92 ABCG2 (0.52) ABCG2ABCB1MAPTCYP3A4GAA
SCHEMBL8789523 0.91 ABCG2 (0.51) ABCG2ABCB1MAPTCYP3A4GAA
SCHEMBL8789264 0.90 ABCG2 (0.55) ABCG2ABCB1MAPTGAAKMT2A
SCHEMBL8789684 0.89 ABCG2 (0.49) ABCG2ABCB1MAPTCYP3A4GAA
SCHEMBL8790718 0.89 ABCG2 (0.47) ABCG2ABCB1MAPTOPRM1TMEM97
SCHEMBL8789137 0.87 ABCG2 (0.52) ABCG2ABCB1CYP3A4KMT2AALDH1A1
SCHEMBL8792167 0.86 ABCG2 (0.47) ABCG2ABCB1ALDH1A1OPRM1TMEM97
SCHEMBL8790784 0.86 ABCG2 (0.52) ABCG2ABCB1CYP3A4KMT2AALDH1A1
SCHEMBL8790178 0.85 ABCG2 (0.53) ABCG2ABCB1CYP3A4GAAKMT2A

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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