SCHEMBL28848976

SCHEMBL28848976

CC(C)(C)OC(=O)CNc1cnc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
GLA P06280 1/20 0.37
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCAR3 P49019 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL18174193 0.81 LMNA (0.51) LMNAMAPK1L3MBTL1MAPTKMT2A
SCHEMBL28848962 0.80 AAK1 (0.35) L3MBTL1
SCHEMBL18172308 0.80 GLA (0.41) LMNAGLAMAPK1L3MBTL1MAPT
SCHEMBL30288984 0.79 LMNA (0.43) LMNAMAPK1L3MBTL1MAPTKMT2A
SCHEMBL20535567 0.79 LMNA (0.44) LMNAMAPK1L3MBTL1MAPTKMT2A
SCHEMBL26830787 0.78 MAPT (0.56) LMNAMAPK1L3MBTL1MAPTKMT2A
SCHEMBL21501953 0.78 LMNA (0.52) LMNAMAPK1L3MBTL1MAPTKMT2A
SCHEMBL25139738 0.77 ALDH1A1 (0.53) LMNAL3MBTL1MAPTKMT2AMEN1
SCHEMBL5550066 0.76 KMT2A (0.50) LMNAMAPK1L3MBTL1MAPTKMT2A
SCHEMBL22164012 0.75 MAPT (0.41) LMNAMAPTKMT2AMEN1PKM

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-114940683-B HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2023-01-17 CN disclosed
CN-114940683-A HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2022-08-26 CN disclosed