SCHEMBL8809264

SCHEMBL8809264

COc1ccc(N(C)CCc2ccc(NC(=O)c3cccc4c3Nc3ccccc3S4)cc2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.41
▸ ABCB1 P08183 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ SMPD1 P17405 1/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ TOP1 P11387 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 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
SCHEMBL8809261 0.89 BCHE (0.45) ABCG2ABCB1ALDH1A1SMPD1MEN1
SCHEMBL8806572 0.83 SMPD1 (0.44) ALDH1A1MAPTMAPK1NPC1TP53
SCHEMBL8807954 0.75 F10 (0.43) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8807055 0.75 ABCG2 (0.43) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8806850 0.75 MEN1 (0.53) ABCG2ABCB1ALDH1A1MAPTNPC1
SCHEMBL8808932 0.74 MEN1 (0.52) ALDH1A1MAPTMAPK1NPC1TP53
SCHEMBL8809638 0.71 F10 (0.42) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8807284 0.71 ABCG2 (0.43) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8806941 0.71 ABCG2 (0.40) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8809575 0.70 F10 (0.41) ABCG2ABCB1ALDH1A1MAPTMAPK1

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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