SCHEMBL9329006

SCHEMBL9329006

COCCNc1cc(C)c(OC)cc1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.33
ADRA2C P18825 3/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
LMNA P02545 2/20 0.30
NCF1 P14598 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
SCHEMBL9012178 0.83 ADRA1D (0.34) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL9329176 0.82 ADRA1D (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL9329867 0.80 ADRA2A (0.32) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL6475931 0.79 UTS2R (0.40) ADRA1AKDM4EALDH1A1SMN1; SMN2UTS2R
SCHEMBL9327521 0.79 ADRA2A (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL9012211 0.77 TAAR1 (0.38) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL9011980 0.73 ADRA1D (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL9327541 0.73 SMN1; SMN2 (0.39) ADRA1AKDM4EALDH1A1SMN1; SMN2UTS2R
SCHEMBL9013449 0.73 UTS2R (0.33) ADRA1DADRA1AADRA1BUTS2R
SCHEMBL9329023 0.73 VCP (0.32) ADRA1DADRA1AADRA1BUTS2R

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