SCHEMBL8933973

SCHEMBL8933973

Cc1cc(C)c(CCON2C(N)=NC(N)=NC2(C)C)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 19/20 0.59

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
SCHEMBL8934010 0.88 DHFR (0.59) DHFR
Bromide SCHEMBL9395278 0.78 DHFR (0.66) DHFR
SCHEMBL8934133 0.77 DHFR (0.64) DHFR
SCHEMBL8933937 0.77 DHFR (0.65) DHFR
Bromide SCHEMBL9397834 0.76 DHFR (0.71) DHFR
Bromide SCHEMBL9397897 0.75 DHFR (0.65) DHFR
SCHEMBL8933985 0.74 DHFR (0.67) DHFR
SCHEMBL8934334 0.73 DHFR (0.59) DHFR
Bromide SCHEMBL9396234 0.73 DHFR (0.66) DHFR
Bromide SCHEMBL9395041 0.72 DHFR (0.68) DHFR

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
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO claimed
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO disclosed