SCHEMBL9329176

SCHEMBL9329176

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.40
ADRA1A P35348 4/20 0.40
ADRA1B P35368 4/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR1A P08908 3/20 0.37
IP6K1 Q92551 1/20 0.34
FERMT2 Q96AC1 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GRM1 Q13255 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9011980 0.91 ADRA1D (0.38) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL9012178 0.88 ADRA1D (0.34) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL9011890 0.85 ADRA1D (0.40) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL6475931 0.84 UTS2R (0.40) ADRA1AIP6K1UTS2RALDH1A1CYP1A2
SCHEMBL9329006 0.82 ADRA2A (0.33) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL9327541 0.81 SMN1; SMN2 (0.39) ADRA1AHTR1AUTS2RALDH1A1HSD17B10
SCHEMBL9327521 0.78 ADRA2A (0.39) ADRA1DADRA1AADRA1BADRA2AADRA2C
SCHEMBL9013449 0.78 UTS2R (0.33) ADRA1DADRA1AADRA1BHTR1AUTS2R
SCHEMBL9012211 0.75 TAAR1 (0.38) ADRA1DADRA1AADRA1BHTR1AUTS2R
SCHEMBL9329867 0.75 ADRA2A (0.32) ADRA1DADRA1AADRA1BADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584588-A1 Anti-ulcer composition containing imidazole derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1994-03-02 EP disclosed