SCHEMBL8580494

SCHEMBL8580494

O=C1NSc2cc(C(=O)O)ccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
HTT P42858 1/20 0.46
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PABPC1 P11940 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 2/20 0.38
TDP2 O95551 1/20 0.37
ALOX5 P09917 1/20 0.37
CA1 P00915 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL28483721 0.78 NOX1 (0.47) CA12CA2CA4CA7CA9
SCHEMBL3006703 0.75 HTT (0.79) HTTPOLBALDH1A1HPGDLMNA
SCHEMBL8581407 0.73 EPHX2 (0.56) CA12CA2CA4CA7CA9
SCHEMBL8492390 0.73 CA12 (0.46) CA12CA2CA4CA7CA9
SCHEMBL8491661 0.73 NOX1 (0.49) CA12CA2CA4CA7CA9
SCHEMBL28478436 0.72 NOX1 (0.58) HTTPOLBSMN1; SMN2L3MBTL1HSD17B10
SCHEMBL31396266 0.72 HDAC1 (0.58) CA12CA2CA4CA7CA9
SCHEMBL5121603 0.71 NOX1 (0.60) HTTPOLBSMN1; SMN2L3MBTL1TDP1
SCHEMBL11389792 0.69 L3MBTL1 (0.62) POLBSMN1; SMN2L3MBTL1HSD17B10TDP1
SCHEMBL5401061 0.68 HTT (0.49) CA12CA2CA4CA7CA9

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
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO disclosed