SCHEMBL9012137

SCHEMBL9012137

CCC(C)NC(c1ccccc1)[S+]([O-])c1ncc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ASPH Q12797 2/20 0.34
KDM8 Q8N371 2/20 0.34
TAAR1 Q96RJ0 5/20 0.33
UBE2N P61088 1/20 0.33
TXN P10599 1/20 0.31
TXNRD1 Q16881 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL9012063 0.88 POLB (0.33) KDM4ETAAR1HRH4
SCHEMBL9013456 0.87 TAAR1 (0.33) TAAR1HRH4ADRA2AADRA2BADRA2C
SCHEMBL17368397 0.68 ALDH1A1 (0.38) TAAR1TXNTXNRD1
SCHEMBL4685300 0.66 ALDH1A1 (0.37) TAAR1TXNTXNRD1
SCHEMBL2233513 0.66 RAB9A (0.46) KDM4ETAAR1SIGMAR1ADRA2B
SCHEMBL4685296 0.65 ALDH1A1 (0.35) TAAR1TXNTXNRD1
SCHEMBL954734 0.63 CHRM2 (0.45) TAAR1ADRA2AADRA2BADRA2C
SCHEMBL29216796 0.63 SIGMAR1 (0.46) KDM4EASPHKDM8TAAR1UBE2N
SCHEMBL172344 0.63 SIGMAR1 (0.66) KDM4EASPHKDM8SIGMAR1ADRA2A
SCHEMBL30864379 0.62 MTOR (0.42) TAAR1ADRA2AADRA2C

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