SCHEMBL24458046

SCHEMBL24458046

CC(C)Sc1ccc2c(c1)Sc1cc(C(C)C)ccc1N2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 6/20 0.38
MEN1 O00255 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.36
SNCA P37840 4/20 0.35
NR1H3 Q13133 1/20 0.33
AR P10275 2/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 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
SCHEMBL23775819 0.86 NOX1 (0.47) NOX1MEN1ADRA2AADRA2BADRA2C
SCHEMBL2706164 0.80 NOX1 (0.46) NOX1MEN1ADRA2AADRA2BADRA2C
SCHEMBL24457993 0.78 NOX1 (0.39) NOX1MEN1SLC6A2HTR2CKMT2A
SCHEMBL2756479 0.75 NOX1 (0.42) NOX1MEN1ADRA2AADRA2BADRA2C
SCHEMBL14215177 0.73 ALDH1A1 (0.45) NOX1MEN1ADRA2AADRA2BADRA2C
SCHEMBL2756738 0.72 NOX1 (0.42) NOX1MEN1ADRA2AADRA2BADRA2C
SCHEMBL13070643 0.71 CYP2D6 (0.43) NOX1MEN1ADRA2AADRA2BADRA2C
SCHEMBL1102432 0.69 MAOA (0.63) NOX1MEN1ADRA2AADRA2BADRA2C
SCHEMBL2739325 0.69 SNCA (0.59) NOX1MEN1ADRA2AADRA2BADRA2C
SCHEMBL11327462 0.68 NOX1 (0.38) NOX1MEN1ADRA2AADRA2BADRA2C

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