SCHEMBL21291701

SCHEMBL21291701

FC(F)(F)c1noc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.57
SMN1; SMN2 Q16637 9/20 0.49
NOTUM Q6P988 1/20 0.49
S1PR1 P21453 3/20 0.48
RAB9A P51151 9/20 0.47
NPC1 O15118 8/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
TP53 P04637 5/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 5/20 0.46
HSD17B10 Q99714 4/20 0.46
PKM P14618 3/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44

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
SCHEMBL14938090 0.83 NR1H4 (0.51) NR1H4SMN1; SMN2S1PR1RAB9ANPC1
SCHEMBL31375567 0.81 NPC1 (0.53) NR1H4SMN1; SMN2S1PR1RAB9ANPC1
SCHEMBL16242134 0.81 NPC1 (0.46) NR1H4SMN1; SMN2S1PR1NPC1NFKB1
SCHEMBL77636 0.81 NR1H4 (0.57) NR1H4SMN1; SMN2NOTUMS1PR1RAB9A
SCHEMBL21380545 0.80 RAB9A (0.56) SMN1; SMN2S1PR1RAB9ANPC1NFKB1
SCHEMBL21339852 0.78 HDAC4 (0.42) NR1H4SMN1; SMN2S1PR1RAB9ANPC1
SCHEMBL31375512 0.78 HDAC4 (0.45) NR1H4SMN1; SMN2S1PR1RAB9ANPC1
SCHEMBL8657046 0.75 MAPT (0.57) NOTUMRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL22353180 0.74 HDAC4 (0.45) NR1H4SMN1; SMN2S1PR1RAB9ANPC1
SCHEMBL1473020 0.73 NR1H4 (1.00) NR1H4SMN1; SMN2NOTUMS1PR1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958431-B9 NEMATICIDAL AQUEOUS SUSPENSION CONCENTRATE COMPOSITIONS MONSANTO TECHNOLOGY LLC (US) 2020-05-20 EP disclosed
EP-2958431-B1 NEMATICIDAL AQUEOUS SUSPENSION CONCENTRATE COMPOSITIONS MONSANTO TECHNOLOGY LLC (US) 2019-11-20 EP disclosed