SCHEMBL23399460

SCHEMBL23399460

CCc1c(O)c(-c2ccccc2)nn1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CASP1 P29466 3/20 0.48
CASP7 P55210 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ATM Q13315 2/20 0.48
CRHBP P24387 2/20 0.48
MAPK1 P28482 2/20 0.48
CRHR2 Q13324 2/20 0.48
USP2 O75604 1/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TLR9 Q9NR96 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL23403324 0.87 MEN1 (0.46) KMT2AMEN1CASP1CASP7KDM4E
SCHEMBL23402494 0.87 MEN1 (0.50) KMT2AMEN1CASP1CASP7KDM4E
SCHEMBL23403107 0.85 RAB9A (0.40) KMT2AMEN1KDM4EMAPK1HSD17B10
SCHEMBL23400022 0.84 CASP1 (0.40) KMT2AMEN1CASP1CASP7KDM4E
SCHEMBL23399795 0.84 MEN1 (0.43) KMT2AMEN1CASP1CASP7KDM4E
SCHEMBL23399515 0.84 MEN1 (0.52) KMT2AMEN1CASP1CASP7KDM4E
SCHEMBL23399425 0.84 MEN1 (0.46) KMT2AMEN1CASP1CASP7KDM4E
SCHEMBL11862067 0.83 CA1 (0.56) KMT2AMEN1CASP1CASP7KDM4E
SCHEMBL23401458 0.81 KMT2A (0.49) KMT2AMEN1CASP1CASP7KDM4E
SCHEMBL23398949 0.81 RECQL (0.47) KMT2AMEN1CASP1CASP7KDM4E

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed