SCHEMBL6498014

SCHEMBL6498014

CCOCCOc1cc(-n2nc(C)c(Cl)c2C)c(F)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.35
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC34A1 Q06495 6/20 0.32
TP53 P04637 1/20 0.31
PPOX P50336 1/20 0.31

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
SCHEMBL6503760 0.78 AR (0.40) ARSLC34A1
SCHEMBL9664664 0.75 PPOX (0.44) SLC34A1PPOX
SCHEMBL9386600 0.71 CYP11B1 (0.38) ARCYP11B1CYP11B2
SCHEMBL9661971 0.70 PPOX (0.57) PPOX
SCHEMBL9387865 0.69 PPOX (0.41) PPOX
SCHEMBL9661744 0.69 PGK1 (0.39) ARSLC34A1PPOX
SCHEMBL9309391 0.69 MAPT (0.47) TP53PPOX
SCHEMBL9138504 0.69 AR (0.37) AR
SCHEMBL9139297 0.68 BCAT2 (0.40) CYP11B1CYP11B2TP53
SCHEMBL9563165 0.67 AR (0.56) ARSLC34A1

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
US-6906006-B1 N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 2005-06-14 US disclosed
US-5554580-A N-aryl-substituted nitrogen-containing heterocycles intermediates and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
EP-0370332-B1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1994-03-30 EP disclosed
US-5006148-A N-aryl-substituted nitrogen-containing heterocycles, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed