SCHEMBL8806941

SCHEMBL8806941

COc1ccc(N(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5cc(F)ccc5sc34)cc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.40
▸ ABCB1 P08183 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RELA Q04206 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
SCHEMBL8807354 0.96 ABCG2 (0.40) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8806990 0.95 ABCG2 (0.39) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8807954 0.91 F10 (0.43) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8807055 0.90 ABCG2 (0.43) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8806933 0.89 KDM4E (0.42) ABCG2ABCB1ALDH1A1MAPK1TP53
SCHEMBL8807343 0.88 ABCB1 (0.42) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8809638 0.88 F10 (0.42) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8806058 0.87 ABCB1 (0.43) ABCG2ABCB1ALDH1A1MAPK1TP53
SCHEMBL8809575 0.86 F10 (0.41) ABCG2ABCB1ALDH1A1MAPTMAPK1
SCHEMBL8806985 0.86 ABCB1 (0.42) ABCG2ABCB1MAPTMAPK1TP53

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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