SCHEMBL8789595

SCHEMBL8789595

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.54
▸ ABCB1 P08183 3/20 0.54
▸ MAPT P10636 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ GUSB P08236 1/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ TMEM97 Q5BJF2 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL8790232 0.96 ABCG2 (0.54) ABCG2ABCB1MAPTBCHEACHE
SCHEMBL8789279 0.95 ABCG2 (0.53) ABCG2ABCB1MAPTBCHEACHE
SCHEMBL8789907 0.94 ABCG2 (0.52) ABCG2ABCB1MAPTBCHEACHE
SCHEMBL8790193 0.94 ABCG2 (0.51) ABCG2ABCB1MAPTACHEGUSB
SCHEMBL8789648 0.93 ABCG2 (0.63) ABCG2ABCB1MAPTBCHEACHE
SCHEMBL8790784 0.91 ABCG2 (0.52) ABCG2ABCB1GUSBOPRM1TMEM97
SCHEMBL8789137 0.91 ABCG2 (0.52) ABCG2ABCB1GUSBOPRM1TMEM97
SCHEMBL8789264 0.91 ABCG2 (0.55) ABCG2ABCB1MAPTBCHEACHE
SCHEMBL8790519 0.91 ABCG2 (0.48) ABCG2ABCB1MAPTBCHEACHE
SCHEMBL8791638 0.90 ABCG2 (0.51) ABCG2ABCB1MAPTBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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