SCHEMBL8932278

SCHEMBL8932278

Cn1nc(C(F)(F)F)cc1Oc1cc(C=O)cnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 4/20 0.36
TGFBR1 P36897 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL8932272 0.88 KMT2A (0.44) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8932244 0.82 KMT2A (0.48) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8932297 0.82 KMT2A (0.48) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8932255 0.81 KMT2A (0.47) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8932283 0.81 KMT2A (0.47) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8932234 0.80 KMT2A (0.49) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8932289 0.79 KMT2A (0.45) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8932303 0.79 KMT2A (0.45) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8932322 0.78 KMT2A (0.44) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8932302 0.77 KMT2A (0.44) KMT2AADORA2AADORA1ALDH1A1TGFBR1

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