SCHEMBL8934313

SCHEMBL8934313

Cc1cccc(C)c1C(C)ON1C(N)=NC(N)=NC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 15/20 0.49
SLC2A1 P11166 1/20 0.42
LMNA P02545 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
SCHEMBL8934084 0.85 DHFR (0.54) DHFR
SCHEMBL8934120 0.85 DHFR (0.48) DHFRSLC2A1LMNA
SCHEMBL8934127 0.80 DHFR (0.49) DHFR
SCHEMBL8934068 0.76 DHFR (0.57) DHFR
SCHEMBL8933985 0.75 DHFR (0.67) DHFRSLC2A1
SCHEMBL8934085 0.73 DHFR (0.53) DHFR
SCHEMBL8934092 0.72 DHFR (0.54) DHFR
SCHEMBL8934083 0.71 DHFR (0.49) DHFR
SCHEMBL8934095 0.71 DHFR (0.49) DHFR
SCHEMBL3682808 0.70 DHFR (0.61) DHFRLMNA

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