SCHEMBL28634161

SCHEMBL28634161

Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(C(=O)O)C4)c([N+](=O)[O-])cnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.33
PTPN11 Q06124 1/20 0.33
MEN1 O00255 1/20 0.33
CCR6 P51684 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
SCHEMBL29172439 0.91 MMP2 (0.38) L3MBTL1ALDH1A1MAPTHSD11B1LMNA
SCHEMBL26638295 0.91 MMP2 (0.38) L3MBTL1ALDH1A1MAPTHSD11B1LMNA
SCHEMBL28634279 0.87 L3MBTL1 (0.34) L3MBTL1ALDH1A1MAPTHSD11B1LMNA
SCHEMBL14644191 0.86 MAPT (0.38) L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL14643453 0.86 MAPT (0.38) L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL9991927 0.86 CDK2 (0.39) L3MBTL1TSHRALDH1A1MAPTHSD11B1
SCHEMBL28637052 0.86 L3MBTL1 (0.39) L3MBTL1POLBTSHRALDH1A1LMNA
SCHEMBL30798172 0.85 NAMPT (0.36) L3MBTL1POLBALDH1A1MAPTLMNA
SCHEMBL30797961 0.85 NAMPT (0.36) L3MBTL1POLBALDH1A1MAPTLMNA
SCHEMBL26638008 0.85 NAMPT (0.36) L3MBTL1POLBALDH1A1MAPTLMNA

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