SCHEMBL21801047

SCHEMBL21801047

O=CCc1ccc(Br)c2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.46
ERN1 O75460 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
IMPDH2 P12268 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
CACNA1B Q00975 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
SCHEMBL3680598 0.77 MAPT (0.40) SLC22A12KDM4EMAPTHTTSMN1; SMN2
SCHEMBL4051088 0.77 PARP1 (0.39) AXLCCNCCDK8
SCHEMBL29890100 0.75 AXL (0.72) AXLSLC22A12CCNCCDK8IMPDH2
SCHEMBL244397 0.75 AXL (0.72) AXLSLC22A12CCNCCDK8IMPDH2
SCHEMBL29566353 0.74 AXL (0.50) AXLERN1SLC22A12CCNCCDK8
SCHEMBL1034122 0.74 AXL (0.50) AXLERN1SLC22A12CCNCCDK8
SCHEMBL29954490 0.71 CYP3A4 (0.49) ERN1KDM4EHTTSMN1; SMN2MAPK8
SCHEMBL14893841 0.71 TNF (0.45) KDM4EHTTSMN1; SMN2MAPK8MAPK9
SCHEMBL1828134 0.71 CYP3A4 (0.49) ERN1KDM4EHTTSMN1; SMN2MAPK8
SCHEMBL26933223 0.70 AXL (0.55) AXLSLC22A12IMPDH2KDM4EMAPT

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-3849973-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2021-07-21 EP disclosed
WO-2020055955-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2020-03-19 WO disclosed