SCHEMBL7964572

SCHEMBL7964572

Nc1c2c(cc(F)c1N1NC(=O)N(CCCF)N1)OCC(=O)N2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7966069 0.78 HTR1A (0.37) ALDH1A1
SCHEMBL7954932 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6849141 0.65
SCHEMBL4105175 0.59 NR3C2 (0.44) ALDH1A1
SCHEMBL10623962 0.59 NR3C2 (0.39)
SCHEMBL6843959 0.59 NR3C2 (0.37)
SCHEMBL29901598 0.58 CHRM1 (0.46) GAA
SCHEMBL8306241 0.57 NR3C2 (0.48) ALDH1A1
SCHEMBL29961692 0.57 MMP12 (0.38) ALDH1A1
SCHEMBL30638088 0.57 MMP12 (0.49) ALDH1A1

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-6294503-B1 HERBICIDAL COMPOSITIONS CONTAINING HETEROCYCLES ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-09-25 US disclosed