SCHEMBL8808386

SCHEMBL8808386

COc1ccc(CCN(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ ABCG2 Q9UNQ0 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ABCB1 P08183 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8807015 0.97 ABCG2 (0.44) MAPTLMNAGAAABCG2KDM4E
SCHEMBL8807951 0.95 BCHE (0.45) MAPTLMNAGAAABCG2KDM4E
SCHEMBL8807068 0.93 KCNH2 (0.44) MAPTLMNAGAAABCG2KDM4E
SCHEMBL8808236 0.92 MAPT (0.45) MAPTLMNAGAAABCG2KDM4E
SCHEMBL8809632 0.90 BCHE (0.44) MAPTLMNAGAAABCG2KDM4E
SCHEMBL8807954 0.90 F10 (0.43) MAPTLMNAGAAABCG2KDM4E
SCHEMBL8808197 0.90 ABCG2 (0.46) MAPTABCG2KDM4EALDH1A1MEN1
SCHEMBL8809566 0.90 BCHE (0.43) MAPTLMNAGAAABCG2KDM4E
SCHEMBL8808101 0.89 BCHE (0.43) MAPTLMNAGAAABCG2KDM4E
SCHEMBL8806058 0.88 ABCB1 (0.43) LMNAABCG2KDM4ECYP3A4CYP1A2

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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