SCHEMBL8807284

SCHEMBL8807284

COc1ccc(N(C)CCCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5sc34)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ ABCB1 P08183 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TP53 P04637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KLKB1 P03952 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL8807055 0.96 ABCG2 (0.43) ABCG2ABCB1MAPTTP53ALDH1A1
SCHEMBL8809638 0.92 F10 (0.42) ABCG2ABCB1MAPTTP53ALDH1A1
SCHEMBL8809575 0.90 F10 (0.41) ABCG2ABCB1MAPTTP53ALDH1A1
SCHEMBL8807354 0.90 ABCG2 (0.40) ABCG2ABCB1MAPTTP53ALDH1A1
SCHEMBL8808106 0.90 F10 (0.41) ABCG2ABCB1MAPTTP53ALDH1A1
SCHEMBL8807273 0.89 ABCB1 (0.46) ABCG2ABCB1MAPTTP53ALDH1A1
SCHEMBL8806990 0.89 ABCG2 (0.39) ABCG2ABCB1MAPTTP53ALDH1A1
SCHEMBL8807954 0.88 F10 (0.43) ABCG2ABCB1MAPTTP53ALDH1A1
SCHEMBL8806941 0.86 ABCG2 (0.40) ABCG2ABCB1MAPTTP53ALDH1A1
SCHEMBL8807050 0.86 ABCB1 (0.45) ABCG2ABCB1ALDH1A1MAPK1SMN1; 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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