SCHEMBL29619482

SCHEMBL29619482

CN1c2ccc(Br)cc2Sc2c(Br)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 8/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 1/20 0.42
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
SNCA P37840 4/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL13847177 0.85 NOX1 (0.42) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL7072232 0.83 MAOA (0.62) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL2495874 0.81 NOX1 (0.52) NOX1L3MBTL1MEN1ADRA2AADRA2B
Bromide SCHEMBL2586940 0.79 NOX1 (0.51) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL4705856 0.77 NOX1 (0.47) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL28098597 0.74 DRD2 (0.37) MEN1KMT2ADRD2HTR2AHTR7
SCHEMBL18018993 0.72 NOX1 (0.46) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL9395281 0.70 MAOA (0.68) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL28640004 0.69 NOX1 (0.43) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL10980556 0.68 ALOX5 (0.37) SNCABCHESLC6A3

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
WO-2022109329-A1 TRICYCLIC COMPOUNDS AND RELATED COMPOSITIONS, ZINC ELECTROCHEMICAL CELLS, BATTERIES, METHODS AND SYSTEMS ALIONYX ENERGY SYSTEMS (US) 2022-05-27 WO disclosed