SCHEMBL28830398

SCHEMBL28830398

Cc1ccc(S(=O)(=O)n2ccc3c(NN4CC[C@@H](OC(=O)NC(C)(C)C)C4)c([N+](=O)[O-])cnc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HSD11B1 P28845 1/20 0.31
MET P08581 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.30
GAA P10253 2/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL28830428 0.91 ALDH1A1 (0.33) ALDH1A1MAPTHSD11B1L3MBTL1KMT2A
SCHEMBL28830521 0.91 ALDH1A1 (0.33) ALDH1A1MAPTHSD11B1L3MBTL1KMT2A
SCHEMBL28830435 0.91 ALDH1A1 (0.33) ALDH1A1MAPTHSD11B1L3MBTL1KMT2A
SCHEMBL28950453 0.86 ALDH1A1 (0.34) ALDH1A1MAPTHSD11B1L3MBTL1LMNA
SCHEMBL28830403 0.85 NAMPT (0.39) ALDH1A1MAPTMETKMT2ALMNA
SCHEMBL28830400 0.85 NAMPT (0.39) ALDH1A1MAPTMETKMT2ALMNA
SCHEMBL28830482 0.84 L3MBTL1 (0.35) ALDH1A1MAPTHSD11B1METL3MBTL1
SCHEMBL23120044 0.82 L3MBTL1 (0.37) ALDH1A1MAPTHSD11B1L3MBTL1KMT2A
SCHEMBL29634559 0.82 LMNA (0.35) ALDH1A1MAPTHSD11B1L3MBTL1KMT2A
SCHEMBL29751749 0.81 GPR174 (0.35) ALDH1A1MAPTHSD11B1L3MBTL1LMNA

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-110724142-B Amide or sulfonamide substituted hydrazine derivatives as JAK kinase inhibitors 启元生物(杭州)有限公司 2022-09-02 CN disclosed