SCHEMBL6572028

SCHEMBL6572028

NC(C(=O)O)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.57
SLC1A2 P43004 2/20 0.57
SLC1A1 P43005 2/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
F2 P00734 3/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
TSHR P16473 1/20 0.46
HTR6 P50406 2/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
HCRTR1 O43613 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8954779 0.85 CA1 (0.51) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL9512568 0.83 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL7431903 0.80 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL28046230 0.79 TTR (0.45) SLC1A3SLC1A2SLC1A1NR4A1KYNU
SCHEMBL27403973 0.77 CA1 (0.58) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL28046229 0.77 CA2 (0.59) CA2F2PRSS1PRSS2PRSS3
SCHEMBL8648359 0.75 CA1 (0.55) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL4263471 0.75 CA2 (0.55) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL10666079 0.74 CA1 (0.53) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL3245449 0.73 CA1 (0.57) SLC1A3SLC1A2SLC1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404340-A1 NAPHTOTHIAZINE POSITIVE ALLOSTERIC AMPA RECEPTOR MODULATORS (PAARM) Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
WO-2002100411-A1 NAPHTOTHIAZINE POSITIVE ALLOSTERIC AMPA RECEPTOR MODULATORS (PAARM) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-12-19 WO disclosed
US-6127340-A ESPCECIALLY THROMBIN, IN WHICH THE P1-P2 NATURAL AMIDE LINKAGE IS REPLACED BY ANOTHER BOND; INHIBITING COAGULATION OF BLOOD IN A CONTAINER; TREATMENT OR PREVENTION OF THROMBOSIS TRIGEN LIMITED (GB) 2000-10-03 US disclosed
EP-0809650-A1 SERINE PROTEASE INHIBITORS ELLERMAN PHARMACEUTICALS LIMITED (GB) 1997-12-03 EP disclosed
WO-1996025427-A1 SERINE PROTEASE INHIBITORS ELLERMAN PHARMACEUTICALS LIMITED (GB) 1996-08-22 WO disclosed