SCHEMBL12818451

SCHEMBL12818451

Cc1nc2cc(S(=O)(=O)N3CC[S+]([O-])c4ccc(-c5ccc(C#N)s5)cc43)ccc2o1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.39
▸ PGR P06401 3/20 0.39
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ OGA O60502 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
SCHEMBL12818273 0.94 PGR (0.36) GCKPGR
SCHEMBL12817726 0.86 HSPD1 (0.38) GCKPGRALDH1A1MAPTHPGD
SCHEMBL12817667 0.84 PGR (0.39) GCKPGRMEN1USP2ALDH1A1
SCHEMBL12819156 0.84 PGR (0.39) GCKPGRMEN1USP2ALDH1A1
SCHEMBL12817925 0.83 PGR (0.40) GCKPGRMEN1USP2ALDH1A1
SCHEMBL12817929 0.83 PGR (0.40) GCKPGRMEN1USP2ALDH1A1
SCHEMBL12818423 0.82 CYP11B1 (0.39) PGRMEN1ALDH1A1KMT2A
SCHEMBL12818249 0.81 PGR (0.42) PGR
SCHEMBL12818535 0.81 CYP11B1 (0.37) GCKPGRMAPT
SCHEMBL12818669 0.80 PKM (0.37) PGRMAPT

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
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO claimed
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO disclosed
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