SCHEMBL8808197

SCHEMBL8808197

COc1ccc(CCN(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.46
▸ MAPT P10636 5/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ AHR P35869 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 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
SCHEMBL8809423 0.91 ACKR3 (0.45) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8808386 0.90 MAPT (0.45) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL8807015 0.87 ABCG2 (0.44) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8807951 0.86 BCHE (0.45) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL8807068 0.86 KCNH2 (0.44) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8809430 0.86 MAPT (0.48) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8808205 0.86 MAPT (0.48) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8808236 0.86 MAPT (0.45) ABCG2MAPTTP53KDM4EALDH1A1
SCHEMBL8807954 0.85 F10 (0.43) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8809638 0.82 F10 (0.42) ABCG2MAPTTP53MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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