SCHEMBL8790242

SCHEMBL8790242

COc1ccc(CN(C)CCCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c(C)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.56
▸ AKT1 P31749 2/20 0.43
▸ ACHE P22303 9/20 0.43
▸ BCHE P06276 6/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ PARP14 Q460N5 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
SCHEMBL8790718 0.93 ABCG2 (0.47) ABCG2ACHEBCHEMAPTOPRM1
SCHEMBL8836378 0.91 ABCG2 (0.45) ABCG2ACHEBCHEMAPTOPRM1
SCHEMBL8789987 0.90 ABCG2 (0.47) ABCG2ACHEBCHEMAPTTP53
SCHEMBL8789201 0.90 ABCG2 (0.59) ABCG2AKT1ACHEBCHEMAPT
SCHEMBL8792167 0.88 ABCG2 (0.47) ABCG2ACHEBCHEOPRM1TMEM97
SCHEMBL8790251 0.87 ABCG2 (0.64) ABCG2AKT1MAPTKDM4ECYP3A4
SCHEMBL8789946 0.87 ABCG2 (0.48) ABCG2ACHEBCHEOPRM1TMEM97
SCHEMBL8788702 0.87 ABCG2 (0.59) ABCG2AKT1ACHEBCHEMAPT
SCHEMBL8790980 0.85 ABCG2 (0.46) ABCG2ACHEBCHEOPRM1TMEM97
SCHEMBL8789467 0.84 ABCG2 (0.49) ABCG2ACHEBCHEMAPTTP53

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
Send feedback