SCHEMBL8807291

SCHEMBL8807291

COc1ccc(C(C)NCCCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5sc34)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.42
▸ ABCB1 P08183 3/20 0.42
▸ KLKB1 P03952 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL8807066 0.95 ABCG2 (0.42) ABCG2ABCB1KLKB1SMN1; SMN2MAOB
SCHEMBL8809649 0.92 MAPT (0.40) ABCG2ABCB1SMN1; SMN2MAOBADORA2B
SCHEMBL8807360 0.90 ABCB1 (0.39) ABCG2ABCB1KLKB1SMN1; SMN2MAOB
SCHEMBL8809583 0.90 MAPT (0.40) ABCG2ABCB1SMN1; SMN2MAOBADORA2B
SCHEMBL8808107 0.89 MAPT (0.39) ABCG2ABCB1SMN1; SMN2MAOBADORA2B
SCHEMBL8806996 0.88 ABCB1 (0.38) ABCG2ABCB1KLKB1SMN1; SMN2MAOB
SCHEMBL8807960 0.87 MAPT (0.43) ABCG2ABCB1SMN1; SMN2MAOBADORA2B
SCHEMBL8806947 0.86 ABCB1 (0.39) ABCG2ABCB1KLKB1SMN1; SMN2MAOB
SCHEMBL8808377 0.82 MAPT (0.40) SMN1; SMN2MAOBADORA2BMAPTTP53
SCHEMBL8807284 0.81 ABCG2 (0.43) ABCG2ABCB1KLKB1SMN1; SMN2MAOB

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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