SCHEMBL8932259

SCHEMBL8932259

COc1cnnc(Oc2cc(C(F)F)nn2C)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4B Q07343 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
SCHEMBL8932234 0.79 KMT2A (0.49) PTGS1PTGS2
SCHEMBL8932265 0.79 ALDH1A1 (0.30)
SCHEMBL8932271 0.77 KMT2A (0.39)
SCHEMBL31710978 0.75 PDE4B (0.36) PTGS1PTGS2PDE4B
SCHEMBL8932302 0.71 KMT2A (0.44) PTGS1PTGS2
SCHEMBL8932244 0.70 KMT2A (0.48) PTGS1PTGS2
SCHEMBL8932343 0.70
SCHEMBL8932318 0.69 PKM (0.43) PTGS1PTGS2
SCHEMBL28445046 0.67
SCHEMBL8932311 0.66 KMT2A (0.46) PTGS1PTGS2

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-5536701-A 3-pyrazolyloxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-07-16 US disclosed