SCHEMBL8934102

SCHEMBL8934102

CCCCCCCCCCCON1C(N)=NC(N)=NC1(C)C

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 14/20 0.63

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
Bromide SCHEMBL8933969 0.76 DHFR (0.65) DHFR
SCHEMBL8933961 0.74 DHFR (0.75) DHFR
SCHEMBL8934306 0.73 DHFR (0.58) DHFR
Bromide SCHEMBL9395041 0.72 DHFR (0.68) DHFR
SCHEMBL8934111 0.71 DHFR (0.67) DHFR
Bromide SCHEMBL9396234 0.70 DHFR (0.66) DHFR
SCHEMBL8934105 0.67 DHFR (0.65) DHFR
Bromide SCHEMBL9394985 0.67 DHFR (0.73) DHFR
SCHEMBL1712141 0.62 DHFR (0.48) DHFR
SCHEMBL1035055 0.62 DHFR (0.48) 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