SCHEMBL8790216

SCHEMBL8790216

COc1ccc(CCN(C)CCCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.62
▸ MAPT P10636 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ ABCB1 P08183 2/20 0.48
▸ KDR P35968 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ AKT1 P31749 2/20 0.43
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ SMPD1 P17405 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL8789201 0.93 ABCG2 (0.59) ABCG2MAPTTP53CYP3A4CYP2C19
SCHEMBL8789562 0.93 ABCG2 (0.69) ABCG2MAPTTP53CYP3A4CYP2C19
SCHEMBL8789246 0.92 ABCG2 (0.66) ABCG2MAPTTP53CYP3A4CYP2C19
SCHEMBL8789962 0.92 ABCG2 (0.65) ABCG2MAPTTP53CYP3A4CYP2C19
SCHEMBL8836061 0.91 ABCG2 (0.63) ABCG2MAPTTP53CYP3A4CYP2C19
SCHEMBL8788702 0.90 ABCG2 (0.59) ABCG2MAPTTP53CYP3A4CYP2C19
SCHEMBL8789872 0.89 ABCG2 (0.57) ABCG2MAPTTP53CYP3A4CYP2C19
SCHEMBL8789900 0.89 ABCG2 (0.68) ABCG2MAPTTP53ABCB1LMNA
SCHEMBL8790230 0.89 ABCG2 (0.66) ABCG2MAPTTP53ABCB1LMNA
SCHEMBL8789120 0.88 ABCG2 (0.63) ABCG2MAPTTP53KDM4EABCB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 — — EP claimed
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 claimed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 — — EP claimed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 — — WO claimed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP claimed
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-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 — — EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 — — WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP disclosed
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