SCHEMBL8790209

SCHEMBL8790209

COc1ccc(CCNCCc2cccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.59
▸ ABCB1 P08183 2/20 0.49
▸ TP53 P04637 2/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL8791640 0.97 ABCG2 (0.56) ABCG2ABCB1TP53ADRB2ADRB1
SCHEMBL8789607 0.94 ABCG2 (0.60) ABCG2ABCB1TP53ADRB2ADRB1
SCHEMBL8790484 0.91 ABCG2 (0.57) ABCG2ABCB1TP53ADRB2ADRB1
SCHEMBL8790801 0.91 ABCG2 (0.60) ABCG2ABCB1ADRB2ADRB1ADRB3
SCHEMBL8789159 0.91 ABCG2 (0.60) ABCG2ABCB1ADRB2ADRB1ADRB3
SCHEMBL8789297 0.90 ABCG2 (0.56) ABCG2ABCB1TP53ADRB2ADRB1
SCHEMBL8789922 0.90 ABCG2 (0.55) ABCG2ABCB1TP53ADRB2ADRB1
SCHEMBL8792332 0.88 ABCG2 (0.58) ABCG2ABCB1ADRB2ADRB1ADRB3
SCHEMBL8790540 0.88 ABCG2 (0.55) ABCG2ABCB1TP53ADRB2ADRB1
SCHEMBL8790193 0.88 ABCG2 (0.51) ABCG2ABCB1TP53KDM4EKMT2A

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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