SCHEMBL8789958

SCHEMBL8789958

COc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5cc(SC)ccc5[nH]c34)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.48
▸ ABCB1 P08183 2/20 0.44
▸ TP53 P04637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KDR P35968 3/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ STAT3 P40763 1/20 0.38

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
SCHEMBL8788702 0.91 ABCG2 (0.59) ABCG2ABCB1TP53MAPTKDR
SCHEMBL8789470 0.90 ABCG2 (0.47) ABCG2ABCB1TP53MAPTKDR
SCHEMBL8789201 0.88 ABCG2 (0.59) ABCG2ABCB1TP53MAPTKDR
SCHEMBL8789576 0.88 ABCG2 (0.56) ABCG2ABCB1TP53MAPTKDR
SCHEMBL8835762 0.87 ABCG2 (0.56) ABCG2ABCB1TP53MAPTSMN1; SMN2
SCHEMBL8788654 0.86 TP53 (0.48) ABCG2TP53MAPTACHE
SCHEMBL8790765 0.85 ABCG2 (0.56) ABCG2ABCB1TP53MAPTKDR
SCHEMBL8789139 0.84 ABCG2 (0.58) ABCG2ABCB1TP53MAPTSMN1; SMN2
SCHEMBL8788717 0.83 ABCG2 (0.57) ABCG2ABCB1TP53MAPTSMN1; SMN2
SCHEMBL8789898 0.83 ABCG2 (0.56) ABCG2ABCB1TP53MAPTACHE

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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