SCHEMBL28668458

SCHEMBL28668458

BrCC(c1ccccc1)c1cn[nH]c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 5/20 0.49
AKT1 P31749 2/20 0.42
ROCK1 Q13464 4/20 0.35
MYLK4 Q86YV6 4/20 0.35
ROCK2 O75116 3/20 0.35
HTR2A P28223 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAPK1 P28482 1/20 0.33
PAX8 Q06710 1/20 0.33
HRH1 P35367 2/20 0.32
HTR1B P28222 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
SCHEMBL16046180 0.81 AKT2 (0.71) AKT2AKT1ROCK1MYLK4HTR2A
SCHEMBL1666064 0.77 HTR2A (0.52) HTR2ATAAR1HRH1
SCHEMBL2375241 0.76 AKT2 (0.48) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL27975965 0.76 AKT2 (0.44) AKT2AKT1ROCK1ROCK2
SCHEMBL17875272 0.73 AKT2 (0.47) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL16156937 0.73 AKT2 (0.45) AKT2AKT1ROCK1ROCK2
SCHEMBL6532251 0.73 SMN1; SMN2 (0.50) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL7999525 0.73 AKT2 (0.50) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL25129902 0.73 TRPA1 (0.46) AKT2AKT1ROCK1ROCK2TAAR1
SCHEMBL30290968 0.69 IDO1 (0.45) AKT2AKT1ROCK2

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
CN-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN disclosed