SCHEMBL8789246

SCHEMBL8789246

COc1ccc(CCN(C)CCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.66
▸ ABCB1 P08183 4/20 0.52
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMPD1 P17405 2/20 0.45
▸ AKT1 P31749 2/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 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
SCHEMBL8789962 0.98 ABCG2 (0.65) ABCG2ABCB1LMNAL3MBTL1SMPD1
SCHEMBL8789562 0.98 ABCG2 (0.69) ABCG2ABCB1LMNAL3MBTL1SMPD1
SCHEMBL8788454 0.94 ABCG2 (0.64) ABCG2ABCB1LMNAL3MBTL1AKT1
SCHEMBL8789541 0.93 ABCG2 (0.65) ABCG2ABCB1LMNAL3MBTL1AKT1
SCHEMBL8790216 0.92 ABCG2 (0.62) ABCG2ABCB1LMNAL3MBTL1SMPD1
SCHEMBL8789989 0.91 ABCG2 (0.63) ABCG2ABCB1LMNAL3MBTL1AKT1
SCHEMBL8791484 0.91 ABCG2 (0.62) ABCG2ABCB1LMNAL3MBTL1AKT1
SCHEMBL8790755 0.90 ABCG2 (0.58) ABCG2ABCB1LMNASMPD1CYP3A4
SCHEMBL8790105 0.89 ABCG2 (0.61) ABCG2ABCB1SMPD1CYP3A4CYP2C19
SCHEMBL8789266 0.89 ABCG2 (0.72) ABCG2ABCB1LMNAL3MBTL1AKT1

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 8 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-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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