SCHEMBL8932318

SCHEMBL8932318

COc1cnnc(Oc2cc(C(F)(F)F)n(C)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HPGD P15428 4/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 1/20 0.33
CFTR P13569 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33

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 0.77 KMT2A (0.49) MAPTNPSR1L3MBTL1KMT2AHDAC1
SCHEMBL3382600 0.76 PKM (0.57) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8932271 0.73 KMT2A (0.39) KMT2AHDAC1HDAC8HDAC6HDAC5
SCHEMBL9005068 0.72 CYP11B1 (0.38) RAB9AMAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL8932257 0.72 SMN1; SMN2 (0.34) PKMNPC1MAPTSMN1; SMN2NPSR1
SCHEMBL8932244 0.71 KMT2A (0.48) PKMNPC1RAB9AKMT2AHSD17B10
SCHEMBL8932307 0.71 MEN1 (0.34) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9005032 0.70 RAB9A (0.42) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL9004994 0.70 HDAC1 (0.39) MAPTL3MBTL1MEN1KMT2AHDAC1
SCHEMBL8932259 0.69 PTGS1 (0.32) 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 claimed