SCHEMBL8791484

SCHEMBL8791484

COc1ccc(CN(C)CCCCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.62
▸ ABCB1 P08183 3/20 0.51
▸ PARP14 Q460N5 1/20 0.44
▸ AKT1 P31749 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ OPRM1 P35372 3/20 0.43
▸ TMEM97 Q5BJF2 3/20 0.43
▸ SIGMAR1 Q99720 3/20 0.43
▸ OPRK1 P41145 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ MAP2K1 Q02750 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
SCHEMBL8789989 0.99 ABCG2 (0.63) ABCG2ABCB1PARP14AKT1LMNA
SCHEMBL8788454 0.97 ABCG2 (0.64) ABCG2ABCB1PARP14AKT1LMNA
SCHEMBL8789541 0.94 ABCG2 (0.65) ABCG2ABCB1PARP14AKT1LMNA
SCHEMBL8789962 0.93 ABCG2 (0.65) ABCG2ABCB1PARP14AKT1LMNA
SCHEMBL8789898 0.92 ABCG2 (0.56) ABCG2ABCB1PARP14LMNABCHE
SCHEMBL8789486 0.91 ABCG2 (0.61) ABCG2ABCB1BCHEACHEOPRM1
SCHEMBL8789246 0.91 ABCG2 (0.66) ABCG2ABCB1PARP14AKT1LMNA
SCHEMBL8789907 0.90 ABCG2 (0.52) ABCG2ABCB1BCHEACHEOPRM1
SCHEMBL8789201 0.90 ABCG2 (0.59) ABCG2ABCB1AKT1BCHEACHE
SCHEMBL8789562 0.90 ABCG2 (0.69) ABCG2ABCB1PARP14AKT1LMNA

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 2 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
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