SCHEMBL8808228

SCHEMBL8808228

COc1ccc(C(C)NCCCc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.43
▸ ABCB1 P08183 6/20 0.42
▸ NR1H4 Q96RI1 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8807874 0.98 ABCG2 (0.43) ABCG2ABCB1NR1H4NPC1RAB9A
SCHEMBL8809008 0.88 MAPT (0.39) ABCG2NPC1RAB9AMAPTMEN1
SCHEMBL8808218 0.83 ABCG2 (0.44) ABCG2ABCB1NR1H4NPC1RAB9A
SCHEMBL8808214 0.83 ABCG2 (0.46) ABCG2ABCB1NR1H4MAPTALDH1A1
SCHEMBL8807856 0.82 ABCG2 (0.45) ABCG2ABCB1NR1H4MAPTALDH1A1
SCHEMBL8807862 0.81 ABCG2 (0.43) ABCG2ABCB1NR1H4NPC1RAB9A
SCHEMBL8815867 0.81 MEN1 (0.38) ABCG2ABCB1NR1H4NPC1RAB9A
SCHEMBL8809649 0.78 MAPT (0.40) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL8807291 0.78 ABCG2 (0.42) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL8809325 0.77 MEN1 (0.58) NPC1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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