SCHEMBL9689756

SCHEMBL9689756

Cc1nc(COc2ccccc2)c(C(=CN(C)C)C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 7/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
IKBKB O14920 1/20 0.38
RECQL P46063 1/20 0.37
HCRTR1 O43613 1/20 0.37
PDE5A O76074 2/20 0.36
XIAP P98170 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL9691325 0.87 RAB9A (0.39) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9691855 0.85 XIAP (0.39) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9691327 0.85 MAPT (0.39) MAPTGAARAB9AALDH1A1SMN1; SMN2
SCHEMBL13494020 0.81 MAPT (0.48) MAPTGAARAB9AALDH1A1SMN1; SMN2
SCHEMBL9692016 0.81 RAB9A (0.37) RAB9ASMN1; SMN2XIAPPOLBNPC1
SCHEMBL9668631 0.78 MAPT (0.40) MAPTGAARAB9AALDH1A1SMN1; SMN2
SCHEMBL9692047 0.72 KMT2A (0.38) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9689720 0.72 PTPN11 (0.39) MAPTGAARAB9AALDH1A1SMN1; SMN2
SCHEMBL9691344 0.71 MEN1 (0.54) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9691348 0.70 ABCC8 (0.37) MAPTGAARAB9AALDH1A1SMN1; SMN2

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-0508901-A2 Alpha-methylene-4-[(phenoxy)methyl)]5-thiazolacetic acid derivatives, process for their preparation, intermediates in this process, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1992-10-14 EP disclosed