SCHEMBL9243795

SCHEMBL9243795

C/C(=N/O)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ADRB2 P07550 1/20 0.39
DDR1 Q08345 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB1 P08588 1/20 0.36
MEN1 O00255 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
SYK P43405 1/20 0.34
KIF11 P52732 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
SCHEMBL8344177 1.00 KDM4E (0.49) KDM4ENOS3NOS2KMT2APOLB
SCHEMBL8570227 1.00 KDM4E (0.49) KDM4ENOS3NOS2KMT2APOLB
SCHEMBL19632011 0.85 KDM4E (0.45) KDM4ENOS3NOS2KMT2APOLB
Hydrochloric Acid SCHEMBL19615616 0.84 KDM4E (0.44) KDM4ENOS3NOS2KMT2APOLB
Hydrochloric Acid SCHEMBL19615617 0.84 KDM4E (0.44) KDM4ENOS3NOS2KMT2APOLB
SCHEMBL1991324 0.82 NOS3 (0.52) KDM4ENOS3NOS2KMT2APOLB
SCHEMBL3719130 0.79 NOS3 (0.46) NOS3NOS2KMT2AADRB2DDR1
SCHEMBL12446917 0.79 NOS3 (0.50) NOS3NOS2KMT2APOLBADRB2
SCHEMBL13847246 0.79 NOS3 (0.50) NOS3NOS2KMT2APOLBADRB2
SCHEMBL2337914 0.79 NOS3 (0.50) NOS3NOS2KMT2APOLBADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 WO disclosed