SCHEMBL9243769

SCHEMBL9243769

CCOc1ccnc(/C(C)=N\O)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NQO1 P15559 1/20 0.33
ACACB O00763 3/20 0.33
USP2 O75604 1/20 0.33
NUDT1 P36639 1/20 0.33
SYK P43405 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
ADRA2A P08913 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL7778662 1.00 MAPK8 (0.39) MAPK8MAPTSMN1; SMN2NPC1TP53
SCHEMBL9243766 1.00 MAPK8 (0.39) MAPK8MAPTSMN1; SMN2NPC1TP53
SCHEMBL8568879 0.81 NUDT1 (0.39) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL882972 0.79 MAPK8 (0.47) MAPK8MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL8564074 0.73 MAPK8 (0.36) MAPK8MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL24351052 0.69 NUDT1 (0.39) MAPK8MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2221308 0.69 KDM4E (0.40) MAPK8MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3817284 0.69 MAPK8 (0.41) MAPK8MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8309216 0.68 MAPT (0.60) MAPTKDM4EACACBUSP2HPGD
SCHEMBL526845 0.67 NUDT1 (0.38) MAPK8MAPTSMN1; SMN2NPC1RAB9A

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