SCHEMBL8790309

SCHEMBL8790309

COc1ccc(CN(C)CCCOc2cccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.52
▸ ABCB1 P08183 2/20 0.52
▸ TP53 P04637 1/20 0.49
▸ ACHE P22303 9/20 0.48
▸ BCHE P06276 4/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NR1H3 Q13133 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
SCHEMBL8790765 0.94 ABCG2 (0.56) ABCG2ABCB1TP53ACHEBCHE
SCHEMBL8789946 0.91 ABCG2 (0.48) ABCG2ABCB1ACHEBCHEOPRM1
SCHEMBL8789576 0.91 ABCG2 (0.56) ABCG2ABCB1TP53ACHEBCHE
SCHEMBL8790604 0.90 ABCG2 (0.54) ABCG2ABCB1TP53ACHEBCHE
SCHEMBL8790240 0.89 ABCG2 (0.55) ABCG2ABCB1TP53ACHEBCHE
SCHEMBL8789457 0.88 ABCG2 (0.60) ABCG2ABCB1TP53ACHEBCHE
SCHEMBL8790168 0.88 ABCG2 (0.62) ABCG2ABCB1TP53ACHEBCHE
SCHEMBL8789467 0.88 ABCG2 (0.49) ABCG2ABCB1TP53ACHEBCHE
SCHEMBL8789486 0.87 ABCG2 (0.61) ABCG2ABCB1TP53ACHEBCHE
SCHEMBL8789648 0.87 ABCG2 (0.63) ABCG2ABCB1TP53ACHEBCHE

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