SCHEMBL4340774

SCHEMBL4340774

CC(C(N)=O)C(N[S+]([O-])C(C)(C)C)c1ccc(F)cn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.40
NR1I2 O75469 1/20 0.34
HDAC6 Q9UBN7 1/20 0.31
FFAR2 O15552 1/20 0.31
MAPK1 P28482 2/20 0.30
FPR2 P25090 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL3238364 0.78 HDAC6 (0.41) APLNRNR1I2HDAC6MAPK1
SCHEMBL346024 0.78 HDAC6 (0.41) APLNRNR1I2HDAC6MAPK1
SCHEMBL4023097 0.75 APLNR (0.35) APLNRNR1I2
SCHEMBL4030776 0.73 APLNR (0.34) APLNRNR1I2
SCHEMBL29457012 0.73 APLNR (0.54) APLNRNR1I2HDAC6FFAR2MAPK1
SCHEMBL24707419 0.72 APLNR (0.33) APLNRHDAC6MAPK1
SCHEMBL3946528 0.72 APLNR (0.34) APLNRHDAC6
SCHEMBL3941882 0.71 CNR1 (0.34) APLNR
SCHEMBL4196483 0.70 CXCR1 (0.35) APLNRNR1I2
SCHEMBL4324172 0.70 APLNR (0.35) APLNRNR1I2HDAC6

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
WO-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 WO disclosed