SCHEMBL9012347

SCHEMBL9012347

Nc1ccccc1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
TAAR1 Q96RJ0 3/20 0.33
HTR1A P08908 1/20 0.32
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
FDPS P14324 1/20 0.30
AR P10275 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL27355467 0.82 ADORA2A (0.35) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL9012162 0.78 TAAR1 (0.35) ATP4AATP4BADRA2AADRA2BADRA2C
SCHEMBL9012337 0.78 TAAR1 (0.35) ATP4AATP4BADRA2AADRA2BADRA2C
SCHEMBL27342985 0.78 ADRA2A (0.40) ADRA2ATAAR1
SCHEMBL6527231 0.78 TAAR1 (0.47) ADRA2ATAAR1MTORADKNISCH
SCHEMBL27270255 0.77 ADRA2A (0.31) ADRA2AADRA2BADRA2C
SCHEMBL8517908 0.76 ADRA2A (0.33) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL9011902 0.76 AR (0.36) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL9011918 0.75 ADRA2A (0.32) ADRA2AADRA2CTAAR1HTR1AMTOR
SCHEMBL4935105 0.75 MAPT (0.40) TAAR1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0354788-B1 Novel imidazole derivatives NIPPON CHEMIPHAR CO (JP) 1995-09-13 EP disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
EP-0584588-A1 Anti-ulcer composition containing imidazole derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1994-03-02 EP disclosed
US-5180836-A Antiulcer agents NIPPON CHEMIPHAR CO., LTD. (JP) 1993-01-19 US disclosed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed
EP-0354788-A1 Novel imidazole derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-14 EP disclosed