SCHEMBL6508760

SCHEMBL6508760

CNC1OCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.47

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
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
HTR7 P34969 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
SCHEMBL8787988 0.83 LMNA (0.44) CA12CA1CA2CA9MAPT
SCHEMBL6507723 0.82 DRD2 (0.42) DRD2DRD3
SCHEMBL8636488 0.81 MEN1 (0.40) CA12CA1CA2CA9MAPT
SCHEMBL5827283 0.80 MEN1 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL8606800 0.80 CA12 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL6508236 0.78 ROCK2 (0.38) ALDH1A1KMT2A
SCHEMBL6527741 0.78 NOTUM (0.45) TSHRSMN1; SMN2MEN1KMT2AAR
SCHEMBL8884161 0.76 MEN1 (0.40) CA12CA1CA2CA9MAPT
Methane SCHEMBL8788629 0.76 MEN1 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL6508550 0.75 CA12 (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000824-A1 LAZOLIDINE DERIVATIVES AS HERBICIDAL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 WO disclosed
EP-0828720-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5-HYDROXY-OXAZOLIDIN-4-ONE ZENECA LIMITED (GB) 1998-03-18 EP disclosed
US-5688962-A Cyclization process for making oxazolikinones ZENECA LIMITED (GB) 1997-11-18 US disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1996037483-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5-HYDROXY-OXAZOLIDIN-4-ONE ZENECA LIMITED (GB) 1996-11-28 WO disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed