SCHEMBL9851253

SCHEMBL9851253

O=C1C=Cc2[nH]cnc2C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 1/20 0.31
SRC P12931 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
SCHEMBL28965648 0.76 ALDH1A1 (0.38) GSK3AGSK3BALDH1A1SRC
Hydrochloric Acid SCHEMBL8486639 0.75 GSK3A (0.36) GSK3AGSK3B
SCHEMBL1421150 0.67
SCHEMBL10732950 0.67 GSK3A (0.40) GSK3AGSK3BALDH1A1
SCHEMBL635227 0.64
SCHEMBL1927521 0.64
Hydrochloric Acid SCHEMBL8486646 0.63 SRC (0.37) GSK3AGSK3BALDH1A1SRC
SCHEMBL277815 0.61
SCHEMBL6441714 0.61 GSK3A (0.43) GSK3AGSK3B
SCHEMBL30031505 0.61 GSK3A (0.43) GSK3AGSK3B

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-0429372-A1 2-Azolyl nicotinate derivatives as herbicides RHONE-POULENC AGROCHIMIE (FR) 1991-05-29 EP disclosed