SCHEMBL8553030

SCHEMBL8553030

CO/C=C(\C(=O)O)c1csc2nc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
MAPT P10636 9/20 0.42
APP P05067 4/20 0.42
F2RL3 Q96RI0 1/20 0.40
TP53 P04637 5/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ABL1 P00519 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8553036 1.00 THRB (0.42) THRBMAPTAPPF2RL3TP53
SCHEMBL8555297 0.90 THRB (0.43) THRBMAPTAPPF2RL3TP53
SCHEMBL8554248 0.86 MAPT (0.43) THRBMAPTAPPTP53KDM4E
SCHEMBL8556781 0.85 KDM4E (0.40) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL8556775 0.85 KDM4E (0.40) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL8556548 0.80 THRB (0.53) THRBMAPTAPPF2RL3TP53
SCHEMBL8552144 0.75 MAPK1 (0.31)
SCHEMBL8552141 0.75 MAPK1 (0.31)
SCHEMBL9384918 0.72 RAB9A (0.56) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3668984 0.71 MAPT (0.59) THRBMAPTF2RL3TP53NPC1

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-0554957-B1 Thiazole derivatives of alkoxyacrylates with a fungicidal activity MINI RICERCA SCIENT TECNOLOG (IT) 1998-04-15 EP claimed