SCHEMBL8790540

SCHEMBL8790540

COc1ccc(CCNCCCOc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.55
▸ ABCB1 P08183 2/20 0.48
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADRB2 P07550 2/20 0.42
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL8790484 0.92 ABCG2 (0.57) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8789607 0.92 ABCG2 (0.60) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8789297 0.92 ABCG2 (0.56) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8790989 0.91 ABCG2 (0.54) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8789922 0.91 ABCG2 (0.55) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8789900 0.90 ABCG2 (0.68) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8836382 0.90 ABCG2 (0.52) ABCG2ABCB1MAPTKMT2AALDH1A1
SCHEMBL8790088 0.90 ABCG2 (0.53) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8790185 0.89 ABCG2 (0.52) ABCG2ABCB1MAPTALDH1A1SMN1; SMN2
SCHEMBL8791640 0.88 ABCG2 (0.56) ABCG2ABCB1TP53MAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 — — EP claimed
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 claimed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP claimed
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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