SCHEMBL8310550

SCHEMBL8310550

CCC(=O)On1nc(-c2cccc(Cl)c2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
MAPT P10636 2/20 0.43
XPO1 O14980 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
DYRK3 O43781 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PDE4B Q07343 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
KMO O15229 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL8309601 0.76 MAPT (0.52) PTGS2MAPTGAAMAPK1
SCHEMBL3398387 0.74 PTGS2 (0.53) PTGS2MAPTPDE4BNPC1GAA
SCHEMBL8311952 0.74 LMNA (0.51) PTGS2MAPTGAARAB9AKMO
SCHEMBL13425935 0.71 PTGS2 (0.47) PTGS2MAPTXPO1PDE4BNPC1
SCHEMBL30130661 0.71 FAAH (0.57) MAPTXPO1TRPM8PDE4BNPC1
SCHEMBL14982231 0.69 MAPT (0.50) MAPTGAAMAPK1
SCHEMBL8624064 0.68 PTGS2 (0.47) PTGS2MAPTPDE4BNPC1GAA
SCHEMBL16664794 0.68 CTSS (0.44) MAPTPDE4BGAA
SCHEMBL8311450 0.68 PTGS2 (0.44) PTGS2MAPTXPO1PDE4BNPC1
SCHEMBL7248442 0.67 ESR2 (0.51) MAPTGAAMAPK1

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-0945437-A1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS Biotech K.K. (JP) 1999-09-29 EP disclosed