SCHEMBL8933943

SCHEMBL8933943

CC1(C)N=C(N)N=C(N)N1O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.47
LMNA P02545 1/20 0.46

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
Hydrochloric Acid SCHEMBL8934088 0.98 DHFR (0.49) DHFRLMNA
SCHEMBL1035055 0.74 DHFR (0.48) DHFRLMNA
SCHEMBL1712141 0.74 DHFR (0.48) DHFRLMNA
SCHEMBL670640 0.70 DHFR (0.49) DHFRLMNA
SCHEMBL671256 0.66 DHFR (0.50) DHFRLMNA
SCHEMBL1938185 0.65 DHFR (1.00) DHFRLMNA
SCHEMBL672080 0.63 DHFR (0.48) DHFRLMNA
SCHEMBL4104810 0.63 DHFR (0.73) DHFRLMNA
SCHEMBL15780417 0.55 DHFR (0.32) DHFRLMNA
SCHEMBL2890742 0.52 BACE1 (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996015672-A1 FUNGICIDAL COMPOSITION ZENECA LIMITED (GB) 1996-05-30 WO disclosed
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO disclosed
US-5300503-A Larvicides FMC CORPORATION (US) 1994-04-05 US disclosed