SCHEMBL8788654

SCHEMBL8788654

CSc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ ABCG2 Q9UNQ0 4/20 0.48
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ IMPDH2 P12268 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 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
SCHEMBL8789735 0.92 ABCG2 (0.50) TP53ABCG2MAPTMEN1KMT2A
SCHEMBL8790879 0.91 ABCG2 (0.50) TP53ABCG2MAPTMEN1KMT2A
SCHEMBL8790679 0.91 ABCG2 (0.59) TP53ABCG2MAPTMEN1KMT2A
SCHEMBL8789532 0.88 ABCG2 (0.48) TP53ABCG2MAPTMEN1KMT2A
SCHEMBL8789958 0.86 ABCG2 (0.48) TP53ABCG2MAPTACHE
SCHEMBL8788702 0.86 ABCG2 (0.59) TP53ABCG2MAPTMEN1KMT2A
SCHEMBL8788669 0.85 ABCG2 (0.57) TP53ABCG2MAPTMEN1KMT2A
SCHEMBL8789120 0.84 ABCG2 (0.63) TP53ABCG2MAPTMEN1KMT2A
SCHEMBL8789470 0.84 ABCG2 (0.47) TP53ABCG2MAPTMEN1KMT2A
SCHEMBL8789201 0.83 ABCG2 (0.59) TP53ABCG2MAPTMEN1KMT2A

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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