SCHEMBL8788747

SCHEMBL8788747

NC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
AADAT Q8N5Z0 1/20 0.44
ALOX5 P09917 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
ALDH1A1 P00352 2/20 0.42
PMM2 O15305 1/20 0.42
MPI P34949 1/20 0.42
PHOSPHO1 Q8TCT1 1/20 0.42
HTT P42858 1/20 0.42
CYP17A1 P05093 1/20 0.41
HTR3E A5X5Y0 1/20 0.41

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
SCHEMBL8787665 0.83 MEN1 (0.43) CA12CA1CA2CA9ALOX5
SCHEMBL6509757 0.83 MEN1 (0.43) CA12CA1CA2CA9ALOX5
SCHEMBL5827269 0.83 MEN1 (0.43) CA12CA1CA2CA9AADAT
SCHEMBL8090519 0.83 HTR7 (0.46) CA12CA1CA2CA9ALOX5
SCHEMBL8552157 0.81 DRD2 (0.44) DRD2DRD3KCNH2
SCHEMBL6508550 0.81 CA12 (0.43) CA12CA1CA2CA9ALOX5
SCHEMBL8668048 0.81 HCRTR1 (0.42) DRD2DRD3ALDH1A1
SCHEMBL8789224 0.78 NPC1 (0.44) CA12CA1CA2CA9DRD2
SCHEMBL8670343 0.77 DRD2 (0.39) DRD2DRD3KCNH2
SCHEMBL8788601 0.77 CCR2 (0.42) MEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed