SCHEMBL8808932

SCHEMBL8808932

COc1ccc(N(C)CCCc2ccc(NC(=O)c3cccc4c3-c3ccccc3C4=O)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 5/20 0.49
▸ HTT P42858 3/20 0.49
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LPAR1 Q92633 1/20 0.42
▸ KLKB1 P03952 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDR P35968 1/20 0.41

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
SCHEMBL8808927 0.89 POLB (0.51) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8809638 0.80 F10 (0.42) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL8807284 0.79 ABCG2 (0.43) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL8809575 0.79 F10 (0.41) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL8808106 0.78 F10 (0.41) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8808218 0.78 ABCG2 (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL8807862 0.77 ABCG2 (0.43) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL8807954 0.75 F10 (0.43) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL8807354 0.75 ABCG2 (0.40) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8807055 0.75 ABCG2 (0.43) MEN1KMT2AALDH1A1MAPTMAPK1

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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