SCHEMBL8790235

SCHEMBL8790235

COc1ccc(CCNCCCCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(N)c5[nH]c34)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.56
▸ ABCB1 P08183 3/20 0.52
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 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
SCHEMBL8789297 0.91 ABCG2 (0.56) ABCG2ABCB1MAPTLMNAMEN1
SCHEMBL8789922 0.90 ABCG2 (0.55) ABCG2ABCB1MAPTLMNAMEN1
SCHEMBL8790024 0.90 ABCG2 (0.71) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL8835766 0.89 ABCG2 (0.70) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL8790484 0.88 ABCG2 (0.57) ABCG2ABCB1MAPTLMNAMEN1
SCHEMBL8790372 0.88 ABCG2 (0.53) ABCG2ABCB1MAPTLMNAMEN1
SCHEMBL8788465 0.87 ABCG2 (0.72) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL8789970 0.87 ABCG2 (0.70) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL8790060 0.87 ABCG2 (0.72) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL8789756 0.87 ABCG2 (0.59) ABCG2ABCB1MAPTLMNAMEN1

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