SCHEMBL9012178

SCHEMBL9012178

COCCNc1ccc(C)cc1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.34
ADRA1A P35348 4/20 0.34
ADRA1B P35368 4/20 0.34
HTR1A P08908 3/20 0.34
UTS2R Q9UKP6 2/20 0.34
NCF1 P14598 2/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
PTGER4 P35408 3/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HCAR3 P49019 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9013449 0.89 UTS2R (0.33) ADRA1DADRA1AADRA1BHTR1AUTS2R
SCHEMBL9329176 0.88 ADRA1D (0.40) ADRA1DADRA1AADRA1BHTR1AUTS2R
SCHEMBL6475931 0.85 UTS2R (0.40) ADRA1AUTS2RNCF1ALDH1A1SMN1; SMN2
SCHEMBL9012410 0.85 HTR1A (0.32) ADRA1DADRA1AADRA1BHTR1AUTS2R
SCHEMBL9329006 0.83 ADRA2A (0.33) ADRA1DADRA1AADRA1BUTS2RNCF1
SCHEMBL9329023 0.81 VCP (0.32) ADRA1DADRA1AADRA1BHTR1AUTS2R
SCHEMBL9011980 0.79 ADRA1D (0.38) ADRA1DADRA1AADRA1BHTR1AUTS2R
SCHEMBL9327541 0.79 SMN1; SMN2 (0.39) ADRA1AHTR1AUTS2RALDH1A1SMN1; SMN2
SCHEMBL9327521 0.79 ADRA2A (0.39) ADRA1DADRA1AADRA1BUTS2RNCF1
SCHEMBL9012211 0.78 TAAR1 (0.38) ADRA1DADRA1AADRA1BHTR1AUTS2R

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