SCHEMBL8789476

SCHEMBL8789476

COc1ccc(CCNCCOc2ccc(NC(=O)c3cc(SC)cc4c(=O)c5ccccc5[nH]c34)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.55
▸ LMNA P02545 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ APP P05067 1/20 0.40
▸ ADRB2 P07550 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 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
SCHEMBL8790880 0.96 ABCG2 (0.52) ABCG2LMNAL3MBTL1KMT2AMEN1
SCHEMBL8789751 0.90 ABCG2 (0.69) ABCG2LMNAL3MBTL1KMT2AMEN1
SCHEMBL8835762 0.89 ABCG2 (0.56) ABCG2LMNAL3MBTL1KMT2AMEN1
SCHEMBL8789767 0.89 ABCG2 (0.50) ABCG2LMNAL3MBTL1KMT2AMEN1
SCHEMBL8789900 0.88 ABCG2 (0.68) ABCG2LMNAL3MBTL1KMT2AMEN1
SCHEMBL8789775 0.87 ABCG2 (0.42) ABCG2LMNAKMT2AMEN1MAPT
SCHEMBL8789470 0.86 ABCG2 (0.47) ABCG2LMNAL3MBTL1KMT2AMEN1
SCHEMBL8790230 0.84 ABCG2 (0.66) ABCG2LMNAL3MBTL1KMT2AMEN1
SCHEMBL8788669 0.83 ABCG2 (0.57) ABCG2KMT2AMEN1MAPTKDM4E
SCHEMBL8789555 0.82 ABCG2 (0.77) ABCG2LMNAL3MBTL1KMT2AMEN1

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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