SCHEMBL4057280

SCHEMBL4057280

[c]1nnc2ccncc2n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL3943234 0.91 ALDH1A1 (0.31) ALDH1A1
SCHEMBL95080 0.72 GPR3 (0.38) ALDH1A1
SCHEMBL3941147 0.72
SCHEMBL3932484 0.65
SCHEMBL1202594 0.65 KDM4A (0.32)
SCHEMBL158440 0.65 KDM4E (0.32) ALDH1A1
SCHEMBL156192 0.65 MAP4K4 (0.31)
SCHEMBL3931342 0.64 MAP4K4 (0.30) ALDH1A1
SCHEMBL3931703 0.64
SCHEMBL1678976 0.64 KDM4E (0.31) 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
EP-2017264-A1 Substituted phenyl propargyl compounds, method for their manufacture and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2009-01-21 EP disclosed