SCHEMBL8791527

SCHEMBL8791527

CC(Cc1ccccc1)NCCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.51
▸ SIGMAR1 Q99720 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PBRM1 Q86U86 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SERPINE1 P05121 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ CFTR P13569 2/20 0.39

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
SCHEMBL8789743 0.84 ABCG2 (0.58) ABCG2TP53MEN1KMT2APBRM1
SCHEMBL8789735 0.81 ABCG2 (0.50) ABCG2TP53MEN1KMT2APBRM1
SCHEMBL8790584 0.80 ABCG2 (0.52) ABCG2TP53MEN1KMT2APBRM1
SCHEMBL8791520 0.80 ABCG2 (0.49) ABCG2TP53MEN1KMT2APBRM1
SCHEMBL8790888 0.80 ABCG2 (0.60) ABCG2TP53MEN1KMT2APBRM1
SCHEMBL8790688 0.80 ABCG2 (0.70) ABCG2TP53MEN1KMT2AMAPT
SCHEMBL8836072 0.79 ABCG2 (0.66) ABCG2TP53MEN1KMT2AMAPT
SCHEMBL8789125 0.78 ABCG2 (0.65) ABCG2TP53MEN1KMT2AMAPT
SCHEMBL8788669 0.78 ABCG2 (0.57) ABCG2TP53MEN1KMT2APBRM1
SCHEMBL8789751 0.77 ABCG2 (0.69) 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
Send feedback