SCHEMBL28400285

SCHEMBL28400285

CC(C)(O)c1cc(OC(N)=O)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOTUM Q6P988 1/20 0.38
NR1H4 Q96RI1 3/20 0.37
ATM Q13315 2/20 0.37
SCN9A Q15858 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 3/20 0.35
MAOB P27338 2/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CES2 O00748 1/20 0.33

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
SCHEMBL27271884 0.86 KIF11 (0.49) KIF11MEN1KMT2ANOTUMNR1H4
SCHEMBL19461904 0.81 KIF11 (0.44) KIF11MEN1KMT2ANOTUMNR1H4
SCHEMBL28381646 0.80 KIF11 (0.43) KIF11MEN1KMT2A
SCHEMBL28401976 0.79 MEN1 (0.46) KIF11MEN1KMT2ANR1H4ATM
SCHEMBL3710923 0.79 KIF11 (0.51) KIF11MEN1KMT2ASCN9APOLB
SCHEMBL3710890 0.79 KIF11 (0.51) KIF11MEN1KMT2ANOTUMSCN9A
SCHEMBL9444016 0.78 MEN1 (0.52) KIF11MEN1KMT2ANR1H4ATM
SCHEMBL3714103 0.78 KIF11 (0.50) KIF11MEN1KMT2ASCN9A
SCHEMBL19461868 0.77 KIF11 (0.41) KIF11MEN1KMT2ANOTUMNR1H4
SCHEMBL28402057 0.77 MEN1 (0.43) KIF11MEN1KMT2ANR1H4ATM

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
CN-111196804-B TGF-beta R1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-11-07 CN disclosed
CN-111196804-A TGF- β R1 inhibitor and application thereof 南京圣和药业股份有限公司 2020-05-26 CN disclosed