SCHEMBL28665444

SCHEMBL28665444

Cc1nn(C)c(=O)c(-c2c(-c3ccc(C#N)cc3)sc3ccccc23)c1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
KDM4C Q9H3R0 1/20 0.35
SLC11A2 P49281 1/20 0.35
PLA2G10 O15496 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CDK8 P49336 1/20 0.34
ACVR1 Q04771 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.33
ITGA4 P13612 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 1/20 0.33
UBE2N P61088 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL25184882 0.86 MIF (0.37) MEN1KMT2AATMKDM4CKDM4E
SCHEMBL28666652 0.86 UBE2N (0.37) MEN1KMT2AATMKDM4CSLC11A2
SCHEMBL29384893 0.86 UBE2N (0.37) MEN1KMT2AATMKDM4CSLC11A2
SCHEMBL30388992 0.82 L3MBTL1 (0.49) MEN1KMT2AATMPLA2G10L3MBTL1
SCHEMBL25187858 0.82 L3MBTL1 (0.49) MEN1KMT2AATMPLA2G10L3MBTL1
SCHEMBL25184312 0.76 ESR1 (0.38) KDM4ECASP3
SCHEMBL25199057 0.76 ESR1 (0.34) KDM4CL3MBTL1HSP90AA1KDM4E
SCHEMBL30389735 0.76 ESR1 (0.38) KDM4ECASP3
SCHEMBL30254871 0.73 MIF (0.38)
SCHEMBL25181426 0.71 MC4R (0.41) KDM4E

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
CN-113825398-A Pyridazinone compounds and herbicides 日产化学株式会社 2021-12-21 CN disclosed