SCHEMBL10905972

SCHEMBL10905972

CCNC(=O)N(C(=N)N)c1c(C)c(OC(C)=O)cc(OC(C)=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TNFSF11 O14788 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL10906692 0.87 MEN1 (0.39) ALDH1A1GAA
SCHEMBL10903853 0.86 PTPN1 (0.35) POLB
SCHEMBL10903836 0.86 TSHR (0.36) POLBALDH1A1GAA
SCHEMBL10907009 0.85 POLB (0.40) POLBGAA
SCHEMBL10905715 0.85 HDAC4 (0.30)
SCHEMBL10905849 0.85 POLB (0.37) POLBTNFSF11
SCHEMBL10905816 0.84 ALDH1A1 (0.32) ALDH1A1GAA
SCHEMBL10905924 0.83 HPGD (0.35) ALDH1A1GAA
SCHEMBL10906944 0.82 ABL1 (0.33)
SCHEMBL10903864 0.80 ALDH1A1 (0.34) ALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4564640-A Amidinoureas substituted in both the urea and amidino nitrogen positions WILLIAM H. RORER, INC. (US) 1986-01-14 US disclosed