SCHEMBL8932297

SCHEMBL8932297

Cc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
TGFBR1 P36897 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KCNT1 Q5JUK3 1/20 0.30
PKM P14618 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
SCHEMBL8932244 0.86 KMT2A (0.48) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8932283 0.85 KMT2A (0.47) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8932255 0.85 KMT2A (0.47) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8932234 0.84 KMT2A (0.49) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8932289 0.83 KMT2A (0.45) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8932303 0.83 KMT2A (0.45) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL6280223 0.82 ADORA2A (0.50) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8932272 0.82 KMT2A (0.44) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8932278 0.82 KMT2A (0.44) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL8932322 0.82 KMT2A (0.44) KMT2AADORA2AADORA1TGFBR1ALDH1A1

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 claimed