SCHEMBL8808392

SCHEMBL8808392

COc1ccc(CC(C)NCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ABCG2 Q9UNQ0 4/20 0.44
▸ TP53 P04637 2/20 0.44
▸ SLC2A1 P11166 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL8807018 0.95 MAPT (0.42) MAPTLMNAGAAABCG2TP53
SCHEMBL8830590 0.91 MAPT (0.39) MAPTLMNAGAAABCG2TP53
SCHEMBL8808244 0.90 MAPT (0.39) MAPTLMNAGAAABCG2TP53
SCHEMBL8807960 0.89 MAPT (0.43) MAPTLMNAGAAABCG2TP53
SCHEMBL8806065 0.87 SLC2A1 (0.39) MAPTLMNAGAAABCG2TP53
SCHEMBL8809649 0.84 MAPT (0.40) MAPTLMNAGAAABCG2TP53
SCHEMBL8807951 0.84 BCHE (0.45) MAPTLMNAGAAABCG2MEN1
SCHEMBL8809583 0.84 MAPT (0.40) MAPTLMNAGAAABCG2TP53
SCHEMBL8808386 0.84 MAPT (0.45) MAPTLMNAGAAABCG2MEN1
SCHEMBL8807995 0.83 MAOA (0.39) MAPTABCG2TP53MEN1KMT2A

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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