SCHEMBL9012211

SCHEMBL9012211

COCCNc1cccc(C)c1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP2C19 P33261 3/20 0.36
UTS2R Q9UKP6 2/20 0.36
ALOX15 P16050 2/20 0.36
HIF1A Q16665 1/20 0.36
CLK4 Q9HAZ1 2/20 0.34
USP2 O75604 1/20 0.34
APEX1 P27695 1/20 0.34
CASP7 P55210 1/20 0.34
NCF1 P14598 2/20 0.33
PKM P14618 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ADRA1A P35348 2/20 0.32
HTR1A P08908 1/20 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
SCHEMBL9327590 0.89 TAAR1 (0.36) TAAR1UTS2RADRA1AHTR1AADRA1D
SCHEMBL6475931 0.83 UTS2R (0.40) ALDH1A1SMN1; SMN2KDM4ECYP1A2HSD17B10
SCHEMBL9327521 0.83 ADRA2A (0.39) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL9011963 0.82 TAAR1 (0.39) TAAR1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9329867 0.80 ADRA2A (0.32) UTS2RADRA1AADRA1DADRA1B
SCHEMBL9012178 0.78 ADRA1D (0.34) ALDH1A1SMN1; SMN2KDM4EUTS2RNCF1
SCHEMBL9327541 0.77 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KDM4EHSD17B10UTS2R
SCHEMBL9329006 0.77 ADRA2A (0.33) ALDH1A1SMN1; SMN2KDM4EUTS2RNCF1
SCHEMBL9360886 0.76 TAAR1 (0.39) TAAR1ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL9329176 0.75 ADRA1D (0.40) ALDH1A1SMN1; SMN2KDM4ECYP1A2HSD17B10

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 6 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-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
EP-0412529-B1 Imidazole derivatives, process for the preparation of the same and antiulcer agents containing the same NIPPON CHEMIPHAR CO (JP) 1994-03-09 EP disclosed
EP-0584588-A1 Anti-ulcer composition containing imidazole derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1994-03-02 EP disclosed
US-5091403-A SULFINYL IMIDAZOLE DERIVATIVES AND ANTIULCER AGENTS CONTAINING THE SAME NIPPON CHEMIPHAR CO., LTD. (JP) 1992-02-25 US disclosed
EP-0412529-A1 Imidazole derivatives, process for the preparation of the same and antiulcer agents containing the same NIPPON CHEMIPHAR CO., LTD. (JP) 1991-02-13 EP disclosed