SCHEMBL8787447

SCHEMBL8787447

C#CCNC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
MAOB P27338 4/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MDM2 Q00987 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6508550 0.83 CA12 (0.43) HTR7CA12CA1CA2CA9
SCHEMBL8790856 0.81 MEN1 (0.43) ALDH1A1MAPTMAPK1HSD17B10NPC1
SCHEMBL8789224 0.80 NPC1 (0.44) HTR7CA12CA1CA2CA9
SCHEMBL8090519 0.78 HTR7 (0.46) HTR7CA12CA1CA2CA9
SCHEMBL9285158 0.76 MEN1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL6509757 0.75 MEN1 (0.43) CA12CA1CA2CA9DRD2
SCHEMBL8788747 0.75 CA12 (0.45) CA12CA1CA2CA9DRD2
SCHEMBL5827269 0.75 MEN1 (0.43) CA12CA1CA2CA9DRD2
SCHEMBL8787665 0.75 MEN1 (0.43) CA12CA1CA2CA9DRD2
SCHEMBL9263773 0.74 ACACB (0.40) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 CN disclosed
CN-1153512-A Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides ZENECA LTD (GB) 1997-07-02 CN disclosed
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