SCHEMBL8932261

SCHEMBL8932261

COc1cnnc(Oc2cc(C(F)(F)F)n[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
BLM P54132 1/20 0.32
PDE10A Q9Y233 1/20 0.30
FABP4 P15090 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
SCHEMBL18013200 0.74 LRRK2 (0.36) L3MBTL1KDM4EMAPTFABP4
SCHEMBL9004994 0.73 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL9005135 0.73 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL8932234 0.72 KMT2A (0.49) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL9005068 0.69 CYP11B1 (0.38) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL8932284 0.69 TGFBR1 (0.41) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL8932310 0.69 MAPT (0.50) L3MBTL1KDM4EMAPTALDH1A1KMT2A
SCHEMBL9005032 0.68 RAB9A (0.42) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL8932318 0.68 PKM (0.43) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL9005129 0.66 HDAC1 (0.40) HDAC1HDAC8HDAC6HDAC5L3MBTL1

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