SCHEMBL28634279

SCHEMBL28634279

Cc1ccc(S(=O)(=O)n2ccc3c(N[C@H]4C[C@@H](OC(N)=O)C4)c([N+](=O)[O-])cnc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HSD11B1 P28845 1/20 0.33
MET P08581 1/20 0.32
HTR6 P50406 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
CCR6 P51684 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL28637033 0.88 L3MBTL1 (0.36) L3MBTL1ALDH1A1MAPTHTR6LMNA
SCHEMBL28628580 0.88 L3MBTL1 (0.36) L3MBTL1ALDH1A1MAPTHTR6LMNA
SCHEMBL28830482 0.87 L3MBTL1 (0.35) L3MBTL1ALDH1A1MAPTHSD11B1MET
SCHEMBL26638295 0.87 MMP2 (0.38) L3MBTL1ALDH1A1MAPTHSD11B1LMNA
SCHEMBL29172439 0.87 MMP2 (0.38) L3MBTL1ALDH1A1MAPTHSD11B1LMNA
SCHEMBL28634161 0.87 L3MBTL1 (0.37) L3MBTL1ALDH1A1MAPTHSD11B1LMNA
SCHEMBL28950453 0.86 ALDH1A1 (0.34) L3MBTL1ALDH1A1MAPTHSD11B1LMNA
SCHEMBL28830435 0.85 ALDH1A1 (0.33) L3MBTL1ALDH1A1MAPTHSD11B1LMNA
SCHEMBL28830521 0.85 ALDH1A1 (0.33) L3MBTL1ALDH1A1MAPTHSD11B1LMNA
SCHEMBL28830428 0.85 ALDH1A1 (0.33) L3MBTL1ALDH1A1MAPTHSD11B1LMNA

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-113396150-A Tricyclic JANUS kinase 1 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2021-09-14 CN disclosed