SCHEMBL8054084

SCHEMBL8054084

CO/N=C/c1cccc2nnsc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SRC P12931 1/20 0.33
PARP1 P09874 2/20 0.32

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
SCHEMBL8054088 1.00 ADRA1D (0.33) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9172116 0.79 ALOX12 (0.37)
SCHEMBL543477 0.73 CYP2A6 (0.43)
SCHEMBL8056519 0.72 MAPT (0.49)
SCHEMBL8054085 0.70
SCHEMBL6969847 0.69 NQO2 (0.47)
SCHEMBL10435593 0.66 MAPT (0.42)
SCHEMBL8049797 0.66 HTT (0.35)
SCHEMBL8050773 0.66 MAPT (0.33)
SCHEMBL2778862 0.66 CA1 (0.45) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502473-B1 Microbicidal benzo-1,2,3-thiadiazole derivatives NOVARTIS AG (CH) 2000-04-26 EP claimed
US-5384321-A Benzothiadiazole compounds CIBA-GEIGY CORPORATION (US) 1995-01-24 US claimed
US-5260423-A Fungicide, viricide or bactericide CIBA-GEIGY CORPORATION (US) 1993-11-09 US claimed
EP-0502473-A1 Microbicidal benzo-1,2,3-thiadiazole derivatives CIBA-GEIGY AG (CH) 1992-09-09 EP claimed
EP-0502473-B1 Microbicidal benzo-1,2,3-thiadiazole derivatives NOVARTIS AG (CH) 2000-04-26 EP disclosed
US-5384321-A Benzothiadiazole compounds CIBA-GEIGY CORPORATION (US) 1995-01-24 US disclosed
US-5260423-A Fungicide, viricide or bactericide CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0502473-A1 Microbicidal benzo-1,2,3-thiadiazole derivatives CIBA-GEIGY AG (CH) 1992-09-09 EP disclosed