SCHEMBL28060193

SCHEMBL28060193

CC1(C)CC(=O)C2=C(C1)Nc1ccc([N+](=O)[O-])cc1S2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
GAA P10253 2/20 0.62
KMT2A Q03164 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPK13 O15264 1/20 0.57
DAPK3 O43293 1/20 0.57
ROCK2 O75116 1/20 0.57
CHEK2 O96017 1/20 0.57
PIM1 P11309 1/20 0.57
CDK2 P24941 1/20 0.57
RECQL P46063 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
CSNK2A1 P68400 1/20 0.57
PRKCZ Q05513 1/20 0.57
PRKAA1 Q13131 1/20 0.57
ROCK1 Q13464 1/20 0.57
DYRK1A Q13627 1/20 0.57
PIM2 Q9P1W9 1/20 0.57

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
SCHEMBL28060192 0.77 MEN1 (1.00) MAPTMEN1GAAKMT2ANPSR1
SCHEMBL1208092 0.74 SNCA (0.84) MAPTMEN1KMT2ASNCANOX1
SCHEMBL29625234 0.74 SNCA (0.84) MAPTMEN1KMT2ASNCANOX1
Dimethyl Sulfoxide SCHEMBL18398818 0.71 SNCA (0.72) MAPTMEN1KMT2ASNCANOX1
SCHEMBL26017582 0.70 SNCA (0.70) MAPTMEN1GAAKMT2ASNCA
SCHEMBL29214094 0.69 SNCA (0.79) MAPTMEN1GAAKMT2ANPSR1
SCHEMBL30867073 0.69 SNCA (0.79) MAPTMEN1GAAKMT2ANPSR1
SCHEMBL239724 0.68 SNCA (1.00) MAPTMEN1GAAKMT2ANPSR1
SCHEMBL30769632 0.68 SNCA (1.00) MAPTMEN1GAAKMT2ANPSR1
SCHEMBL499574 0.68 MAOA (0.57) MAPTSNCANOX1NPC1RAB9A

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-105503773-A Preparation method of benzothiazine derivatives UNIV SOOCHOW 2016-04-20 CN disclosed