SCHEMBL8335993

SCHEMBL8335993

O=C(O)C(=O)c1cccc2nnsc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 5/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
THRB P10828 1/20 0.36
CYP2C19 P33261 1/20 0.34
BAZ1A Q9NRL2 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
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL2455715 0.86 ALDH1A1 (0.44) MAPTTP53SMN1; SMN2ALDH1A1NPC1
SCHEMBL8051642 0.81 MAPT (0.45) MAPTTP53SMN1; SMN2POLBALDH1A1
SCHEMBL3743974 0.81 PARP1 (0.40) MAPTTP53SMN1; SMN2ALDH1A1MEN1
SCHEMBL73948 0.81 MAPT (0.36) MAPTTP53SMN1; SMN2POLBALDH1A1
SCHEMBL7555956 0.81 MAPT (0.39) MAPTTP53SMN1; SMN2POLBALDH1A1
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL32672712 0.79 ALDH1A1 (0.36) MAPTTP53SMN1; SMN2POLBALDH1A1
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL32672814 0.79 ALDH1A1 (0.36) MAPTTP53SMN1; SMN2POLBALDH1A1
Hydrochloric Acid SCHEMBL17701156 0.79 MAPT (0.35) MAPTTP53SMN1; SMN2POLBALDH1A1
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL32672672 0.79 ALDH1A1 (0.36) MAPTTP53SMN1; SMN2POLBALDH1A1
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL32672819 0.79 ALDH1A1 (0.40) MAPTTP53SMN1; SMN2POLBALDH1A1

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
JP-11209359-A None JP disclosed
JP-H11209359-A ALPHA-OXO-1,2,3-BENZOTHIADIAZOLE-7-ACETIC ACID AND ITS PRODUCTION AND PRODUCTION OF 1,2,3-BENZOTHIADIAZOLE-7-CARBOXYLIC ACID USING THE SAME SUMITOMO SEIKA CHEM CO LTD 1999-08-03 JP disclosed