SCHEMBL8789078

SCHEMBL8789078

COc1ccc(CN(C)CCCSc2ccc(NC(=O)c3cccc4c(=O)c5cccc(SC)c5[nH]c34)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.47
▸ ABCB1 P08183 2/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ OPRM1 P35372 3/20 0.39
▸ TMEM97 Q5BJF2 3/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ TP53 P04637 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36

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
SCHEMBL8790357 0.93 ABCG2 (0.54) ABCG2ABCB1MEN1KMT2AMAPT
SCHEMBL8789798 0.91 ABCG2 (0.48) ABCG2ABCB1MAPTMAPK1SMN1; SMN2
SCHEMBL8790077 0.91 ABCG2 (0.47) ABCG2ABCB1MAPTMAPK1SMN1; SMN2
SCHEMBL8789696 0.90 ABCG2 (0.53) ABCG2ABCB1MEN1KMT2ABACE1
SCHEMBL8788717 0.90 ABCG2 (0.57) ABCG2ABCB1MAPTMAPK1SMN1; SMN2
SCHEMBL8789086 0.87 ABCG2 (0.52) ABCG2ABCB1MEN1KMT2ABACE1
SCHEMBL8789139 0.86 ABCG2 (0.58) ABCG2ABCB1MAPTMAPK1SMN1; SMN2
SCHEMBL8789457 0.83 ABCG2 (0.60) ABCG2ABCB1MAPTMAPK1SMN1; SMN2
SCHEMBL8830849 0.83 MCHR1 (0.42) ABCG2ABCB1BACE1MAPTMAPK1
SCHEMBL8790168 0.82 ABCG2 (0.62) ABCG2ABCB1MAPTMAPK1SMN1; SMN2

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
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