SCHEMBL8806643

SCHEMBL8806643

COc1ccc(C(C)NCCCCc2ccc(NC(=O)c3cnc4ccccc4n3)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.55
▸ ABCB1 P08183 4/20 0.55
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL8806628 0.80 OPRM1 (0.59) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL8806633 0.80 ABCG2 (0.56) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL8808583 0.77 CA12 (0.55) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL8808191 0.76 MAPT (0.62) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL8809583 0.75 MAPT (0.40) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL8809325 0.75 MEN1 (0.58) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL8808107 0.74 MAPT (0.39) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL8806668 0.74 ABCG2 (0.89) ABCG2ABCB1
SCHEMBL25346020 0.73 ABCB1 (0.57) ABCG2ABCB1NPC1RAB9AMAPT
SCHEMBL8807078 0.73 MAPT (0.46) NPC1RAB9AMAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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