SCHEMBL8932284

SCHEMBL8932284

CCn1nc(C(F)(F)F)cc1Oc1cc(OC)cnn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PTGS2 P35354 3/20 0.34
PTGS1 P23219 2/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN9A Q15858 7/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8932234 0.84 KMT2A (0.49) TGFBR1HDAC1HDAC8HDAC6HDAC5
SCHEMBL6760672 0.77 TGFBR1 (0.43) TGFBR1PTGS2PTGS1L3MBTL1KMT2A
SCHEMBL8932311 0.76 KMT2A (0.46) TGFBR1PTGS2PTGS1KMT2AALDH1A1
SCHEMBL8932244 0.76 KMT2A (0.48) TGFBR1PTGS2PTGS1KMT2ASCN9A
SCHEMBL8932271 0.74 KMT2A (0.39) TGFBR1HDAC1HDAC8HDAC6HDAC5
SCHEMBL8932285 0.72 TGFBR1 (0.34) TGFBR1HDAC1HDAC8HDAC6HDAC5
SCHEMBL8932302 0.71 KMT2A (0.44) TGFBR1PTGS2PTGS1KMT2AALDH1A1
SCHEMBL8932318 0.69 PKM (0.43) HDAC1HDAC8HDAC6HDAC5PTGS2
SCHEMBL9004994 0.69 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5BLM
SCHEMBL9005135 0.69 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5BLM

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