SCHEMBL6508427

SCHEMBL6508427

CNC1CCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
CYP17A1 P05093 1/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
KCNH2 Q12809 1/20 0.45
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTR7 P34969 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL14528089 0.87 CA12 (0.65) CA12CA1CA2CA9CYP17A1
SCHEMBL8787347 0.86 CA12 (0.59) CA12CA1CA2CA9CYP17A1
SCHEMBL8787687 0.86 CA12 (0.59) CA12CA1CA2CA9CYP17A1
SCHEMBL7608380 0.82 ROCK2 (0.53) CA12CA1CA2CA9DRD2
SCHEMBL6507548 0.82 ROCK2 (0.53) CA12CA1CA2CA9DRD2
SCHEMBL7604788 0.82 ROCK2 (0.53) CA12CA1CA2CA9DRD2
SCHEMBL8788443 0.81 CA12 (0.43) CA12CA1CA2CA9DRD2
SCHEMBL7610183 0.81 CA12 (0.55) CA12CA1CA2CA9CYP17A1
SCHEMBL7607804 0.81 CA12 (0.55) CA12CA1CA2CA9CYP17A1
SCHEMBL19513372 0.81 HDAC1 (0.58) DRD2DRD3KCNH2ALDH1A1HDAC1

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 5 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-1119547-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES Syngenta Limited (GB) 2001-08-01 EP disclosed
WO-2000021928-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES SYNGENTA LIMITED (GB) 2000-04-20 WO 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