SCHEMBL24252130

SCHEMBL24252130

Cc1ccc(F)c(-c2c(O)c(C)nn(C)c2=O)c1Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
CDK8 P49336 1/20 0.34
ACVR1 Q04771 1/20 0.34
NMT1 P30419 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK8 P45983 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL29457662 0.87 KMT2A (0.36) L3MBTL1CDK8ACVR1NMT1LMNA
SCHEMBL22031802 0.87 KMT2A (0.36) L3MBTL1CDK8ACVR1NMT1LMNA
SCHEMBL2484646 0.76 MAPT (0.44) CDK8ACVR1LMNAMAPTHTT
SCHEMBL513860 0.74 MAPK8 (0.42) L3MBTL1CDK8ACVR1NMT1TSHR
SCHEMBL1517630 0.74 NR2F2 (0.35) L3MBTL1CDK8ACVR1NMT1LMNA
SCHEMBL3789703 0.74 MAPK8 (0.38) CDK8ACVR1LMNAMAPTHTT
SCHEMBL18797608 0.73 CDK8 (0.40) L3MBTL1CDK8ACVR1LMNAMAPT
SCHEMBL469635 0.72 KDM4E (0.39) CDK8ACVR1LMNAMAPT
SCHEMBL919364 0.70 MAPT (0.38) L3MBTL1CDK8ACVR1LMNAMAPT
SCHEMBL514515 0.70 CDK8 (0.35) L3MBTL1CDK8ACVR1LMNAMAPT

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
WO-2022033893-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-02-17 WO disclosed