SCHEMBL28889261

SCHEMBL28889261

Cc1cccc(C(C#N)c2cc(C(F)(F)F)ccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
LRRK2 Q5S007 1/20 0.45
ADRB2 P07550 1/20 0.40
MAPT P10636 4/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
S1PR2 O95136 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
PHGDH O43175 1/20 0.36
ATM Q13315 1/20 0.36
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36

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
SCHEMBL29893933 1.00 TAAR1 (0.53) TAAR1ALDH1A1GAAL3MBTL1LRRK2
SCHEMBL29894681 0.86 GAA (0.44) TAAR1ALDH1A1GAAL3MBTL1LRRK2
SCHEMBL28889353 0.86 GAA (0.44) TAAR1ALDH1A1GAAL3MBTL1LRRK2
SCHEMBL28889329 0.85 SMN1; SMN2 (0.49) TAAR1ALDH1A1GAAL3MBTL1LRRK2
SCHEMBL24110401 0.85 ALDH1A1 (0.47) TAAR1ALDH1A1GAAL3MBTL1LRRK2
SCHEMBL29893706 0.85 GAA (0.44) TAAR1ALDH1A1GAAL3MBTL1LRRK2
SCHEMBL28889246 0.85 GAA (0.61) TAAR1ALDH1A1GAAL3MBTL1LRRK2
SCHEMBL29894673 0.85 GAA (0.61) TAAR1ALDH1A1GAAL3MBTL1LRRK2
SCHEMBL28889362 0.85 GAA (0.44) TAAR1ALDH1A1GAAL3MBTL1LRRK2
SCHEMBL28959162 0.84 ADRB2 (0.41) TAAR1ALDH1A1GAAL3MBTL1LRRK2

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-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed