SCHEMBL6553744

SCHEMBL6553744

C=CCNC1=NS(=O)(=O)c2ccccc2N1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CAPN1 P07384 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NOX1 Q9Y5S8 1/20 0.39
USP2 O75604 1/20 0.38
MAPT P10636 4/20 0.38
TAAR1 Q96RJ0 1/20 0.38
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2364650 0.82 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL7944337 0.82 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AMAPTTAAR1
SCHEMBL7950744 0.81 TAAR1 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL7952129 0.81 ALDH1A1 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL24050731 0.81 CA12 (0.57) CA12CA1CA2CA9CAPN1
SCHEMBL721210 0.77 CA12 (0.53) CA12CA1CA2CA9CAPN1
SCHEMBL31594156 0.75 CA12 (0.50) CA12CA1CA2CA9CAPN1
SCHEMBL24050732 0.74 TAAR1 (0.51) CA12CA1CA2CA9CAPN1
SCHEMBL718189 0.72 CA12 (0.57) CA12CA1CA2CA9CAPN1
SCHEMBL8603703 0.71 TAAR1 (0.51) CA12CA1CA2CA9CAPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906297-B1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE UNIV LIEGE (BE) 2004-02-25 EP disclosed
US-6242443-B1 1,2,4-benzothiadiazine derivatives, their preparation and use NOVO NORDISK AIS (DK) 2001-06-05 US disclosed
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