SCHEMBL28401976

SCHEMBL28401976

CC(C)(O)c1cc(OC(N)=O)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
JAK2 O60674 1/20 0.39
BTK Q06187 1/20 0.39
KIF11 P52732 1/20 0.38
NR1H4 Q96RI1 4/20 0.38
ATM Q13315 1/20 0.35
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
ELANE P08246 1/20 0.33
CA2 P00918 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL28400285 0.79 KIF11 (0.47) MEN1KMT2AKIF11NR1H4ATM
SCHEMBL28720409 0.79 MEN1 (0.38) MEN1KMT2AKIF11NR1H4ATM
SCHEMBL28402057 0.78 MEN1 (0.43) MEN1KMT2AKIF11NR1H4ATM
SCHEMBL25408607 0.78 KMT2A (0.53) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL28402380 0.77 MEN1 (0.42) MEN1KMT2A
SCHEMBL9444016 0.76 MEN1 (0.52) MEN1KMT2AKIF11NR1H4ATM
SCHEMBL28242033 0.74 KMT2A (0.53) MEN1KMT2AKIF11MAPTNPC1
SCHEMBL28643962 0.73 MEN1 (0.48) MEN1KMT2AKIF11NR1H4ATM
SCHEMBL440172 0.73 MEN1 (0.52) MEN1KMT2AKIF11MAPTNPC1
SCHEMBL20789189 0.72 MEN1 (0.40) MEN1KMT2AKIF11MAPTNPC1

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 3 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-114341145-A Chemical compound 博拉公司 2022-04-12 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