SCHEMBL29974708

SCHEMBL29974708

Cc1nc(-c2ccc(F)cc2)c(Br)n1CC(=O)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
PLA2G7 Q13093 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
FAAH O00519 1/20 0.39
MAPK14 Q16539 2/20 0.38
AKR1B10 O60218 1/20 0.37
SCN9A Q15858 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL29974840 0.86 HTR6 (0.41) GRIN2BTSHRPLA2G7RIPK3MAPK14
SCHEMBL29975240 0.85 MAPT (0.41) GRIN2BMAPTPLA2G7RIPK3SCN9A
SCHEMBL25043409 0.83 RIPK3 (0.52) RIPK3FAAHMAPK14
SCHEMBL23410436 0.82 GRIA1 (0.47) GRIN2BTSHR
SCHEMBL18042004 0.73 TGFBR1 (0.53) LMNAMAPTHTTTSHRFAAH
SCHEMBL25044591 0.72 RIPK3 (0.52) RIPK3MAPK14
SCHEMBL30232366 0.72 RIPK3 (0.49) RIPK3MAPK14
SCHEMBL15006965 0.71 LMNA (0.42) GRIN2BLMNATSHRPLA2G7
SCHEMBL30232556 0.71 RIPK3 (0.50) MAPTRIPK3MAPK14
SCHEMBL23410296 0.70 GRIA1 (0.47) MAPT

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-115151256-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 CN disclosed