SCHEMBL8789532

SCHEMBL8789532

CSc1ccc(CN(C)CCCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.48
▸ ABCB1 P08183 2/20 0.41
▸ CFTR P13569 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TOP2A P11388 1/20 0.38

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
SCHEMBL8790733 0.90 ABCG2 (0.49) ABCG2ABCB1CFTRPBRM1TP53
SCHEMBL8788654 0.88 TP53 (0.48) ABCG2CFTRMAOBPBRM1TP53
SCHEMBL8789542 0.86 ABCG2 (0.54) ABCG2ABCB1CFTRMAOBPBRM1
SCHEMBL8790125 0.86 ABCG2 (0.65) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8789989 0.85 ABCG2 (0.63) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8791484 0.84 ABCG2 (0.62) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8810838 0.83 ALDH1A1 (0.41) MAOBTP53MAPTALDH1A1MEN1
SCHEMBL8789166 0.82 ABCG2 (0.65) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8788454 0.82 ABCG2 (0.64) ABCG2ABCB1TP53MAPTMEN1
SCHEMBL8789962 0.80 ABCG2 (0.65) ABCG2ABCB1TP53MAPTALDH1A1

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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