SCHEMBL8808205

SCHEMBL8808205

COc1ccc(CCCNCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ABCG2 Q9UNQ0 4/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ SLC6A5 Q9Y345 2/20 0.43
▸ AHR P35869 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ F10 P00742 1/20 0.42

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
SCHEMBL8809430 1.00 MAPT (0.48) MAPTTP53ABCG2RXFP1MEN1
SCHEMBL8810999 0.86 SLC6A5 (0.44) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL8808197 0.86 ABCG2 (0.46) MAPTTP53ABCG2RXFP1MEN1
SCHEMBL8809423 0.85 ACKR3 (0.45) MAPTTP53ABCG2MEN1KMT2A
SCHEMBL8810848 0.85 MAPT (0.44) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL8788917 0.81 ABCG2 (0.72) MAPTTP53ABCG2MEN1KMT2A
SCHEMBL8790131 0.81 ABCG2 (0.72) MAPTTP53ABCG2MEN1KMT2A
SCHEMBL8809638 0.79 F10 (0.42) MAPTTP53ABCG2MEN1KMT2A
SCHEMBL8809649 0.79 MAPT (0.40) MAPTTP53ABCG2MEN1KMT2A
SCHEMBL8807018 0.79 MAPT (0.42) MAPTTP53ABCG2MEN1KMT2A

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
Send feedback