SCHEMBL8789743

SCHEMBL8789743

O=C(Nc1ccc(OCCNCCc2ccccc2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.58
▸ TP53 P04637 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ PBRM1 Q86U86 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GAA P10253 1/20 0.45
▸ SERPINE1 P05121 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ DHFR P00374 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ABCB1 P08183 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
SCHEMBL8790888 0.93 ABCG2 (0.60) ABCG2TP53PBRM1MEN1KMT2A
SCHEMBL8790688 0.93 ABCG2 (0.70) ABCG2TP53MEN1KMT2AMAPT
SCHEMBL8788669 0.91 ABCG2 (0.57) ABCG2TP53PBRM1MEN1KMT2A
SCHEMBL8789125 0.88 ABCG2 (0.65) ABCG2TP53MEN1KMT2AMAPT
SCHEMBL8789751 0.88 ABCG2 (0.69) ABCG2TP53MEN1KMT2AMAPT
SCHEMBL8836072 0.87 ABCG2 (0.66) ABCG2TP53MEN1KMT2AMAPT
SCHEMBL8789900 0.85 ABCG2 (0.68) ABCG2TP53MEN1KMT2AMAPT
SCHEMBL8791527 0.84 ABCG2 (0.51) ABCG2TP53PBRM1MEN1KMT2A
SCHEMBL8788917 0.84 ABCG2 (0.72) ABCG2TP53MEN1KMT2AMAPT
SCHEMBL8790131 0.84 ABCG2 (0.72) ABCG2TP53MEN1KMT2AMAPT

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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