SCHEMBL8068167

SCHEMBL8068167

NC(=O)N(O)CC1=Cc2sc(Cn3ccnc3)cc2CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.64
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Imitrodast SCHEMBL166460 0.78 TBXAS1 (1.00) TBXAS1
Imitrodast SCHEMBL99497 0.77 TBXAS1 (0.98) TBXAS1
Imitrodast SCHEMBL8156405 0.77 TBXAS1 (0.81) TBXAS1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL9836523 0.75 TBXAS1 (0.74) TBXAS1
SCHEMBL9401600 0.75 TBXAS1 (0.67) TBXAS1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL9401596 0.75 TBXAS1 (0.67) TBXAS1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL9836779 0.74 TBXAS1 (0.76) TBXAS1KDM4E
SCHEMBL8068178 0.73 ALOX5 (0.32) TBXAS1
SCHEMBL9836683 0.70 TBXAS1 (0.52) TBXAS1KDM4EALDH1A1
SCHEMBL9835155 0.68 TBXAS1 (0.79) TBXAS1ALDH1A1

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
JP-2000256355-A N-HYDROXYUREA DERIVATIVE NIKKEN CHEM CO LTD 2000-09-19 JP disclosed