SCHEMBL28060192

SCHEMBL28060192

CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 1.00
KMT2A Q03164 9/20 1.00
MAPT P10636 6/20 1.00
GAA P10253 5/20 1.00
NPSR1 Q6W5P4 1/20 1.00
MAPK13 O15264 1/20 0.67
DAPK3 O43293 1/20 0.67
ROCK2 O75116 1/20 0.67
CHEK2 O96017 1/20 0.67
PIM1 P11309 1/20 0.67
CDK2 P24941 1/20 0.67
RECQL P46063 1/20 0.67
GSK3A P49840 1/20 0.67
GSK3B P49841 1/20 0.67
CSNK2A1 P68400 1/20 0.67
PRKCZ Q05513 1/20 0.67
PRKAA1 Q13131 1/20 0.67
ROCK1 Q13464 1/20 0.67
DYRK1A Q13627 1/20 0.67
PIM2 Q9P1W9 1/20 0.67

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
SCHEMBL16268747 0.78 GAA (0.63) MEN1KMT2AMAPTGAANPSR1
SCHEMBL28060193 0.77 MAPT (0.62) MEN1KMT2AMAPTGAANPSR1
SCHEMBL6545194 0.75 MAPT (1.00) MEN1KMT2AMAPTGAANPSR1
SCHEMBL6545369 0.75 MAPT (0.59) MEN1KMT2AMAPTGAANPSR1
SCHEMBL12462878 0.69 L3MBTL1 (0.66) MEN1KMT2AMAPTGAANPSR1
SCHEMBL12463182 0.69 L3MBTL1 (0.66) MEN1KMT2AMAPTGAANPSR1
SCHEMBL16268711 0.68 GAA (0.51) MEN1KMT2AMAPTGAANPSR1
SCHEMBL4294439 0.68 MEN1 (1.00) MEN1KMT2AMAPTGAANPSR1
SCHEMBL2279059 0.66 GAA (0.51) MEN1KMT2AMAPTGAANPSR1
Phenothiazine SCHEMBL10338440 0.66 NOX1 (0.94) MEN1KMT2AMAPTGAANPSR1

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