SCHEMBL31192593

SCHEMBL31192593

Cn1c(=O)[nH]c2cc(F)c(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
DAO P14920 3/20 0.46
MAPT P10636 3/20 0.41
PGR P06401 2/20 0.40
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
MAOB P27338 3/20 0.36
PARG Q86W56 1/20 0.36
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL24195933 1.00 LMNA (0.53) LMNADAOMAPTPGRBRD4
SCHEMBL24195937 0.93 LMNA (0.53) LMNADAOMAPTPGRBRD4
SCHEMBL21848325 0.83 GRIA1 (0.57) LMNADAOGRIA1GRIA2GRIA3
SCHEMBL31731190 0.81 LMNA (0.54) LMNADAOMAPTPGRBRD4
SCHEMBL27295360 0.79 LMNA (0.53) LMNADAOMAPTPGRBRD4
SCHEMBL16858454 0.76 LMNA (0.49) LMNADAOMAPTPGRBRD4
SCHEMBL30037778 0.76 LMNA (0.49) LMNAMAPTPGRBRD4MEN1
SCHEMBL31701670 0.74 PGR (0.51) PGR
SCHEMBL25217626 0.73 GRIN2D (0.56) LMNAMAPTPGRBRD4MEN1
SCHEMBL13194494 0.73 LMNA (0.50) LMNADAOPGRBRD4MAOB

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-113924296-B 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same 株式会社 钟根堂 2024-09-17 CN disclosed