SCHEMBL29904352

SCHEMBL29904352

Brc1cnc(NCCc2ccccc2)c(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
SLC29A1 Q99808 1/20 0.46
PDE5A O76074 1/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TMIGD3 P0DMS9 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL23461169 1.00 APP (0.47) APPMAPK1HTTEGFRLMNA
SCHEMBL557825 0.86 APP (0.51) APPMAPK1HTTEGFRLMNA
SCHEMBL557824 0.83 APP (0.51) APPMAPK1HTTEGFRLMNA
SCHEMBL3952920 0.78 HPGD (0.49) APPLMNATMIGD3ADORA2AADORA2B
SCHEMBL2323296 0.75 KDM4E (0.43) MAPK1HTTEGFRLMNASLC29A1
SCHEMBL3956502 0.75 HPGD (0.49) APPLMNATMIGD3ADORA2AADORA2B
SCHEMBL6209927 0.73 APP (0.57) APPMAPK1HTTEGFRLMNA
SCHEMBL23852988 0.72 CCNE1 (0.38) HDAC3HDAC1HDAC6KMT2A
SCHEMBL23461156 0.72 TAAR1 (0.49) APPMAPK1HTTEGFRLMNA
SCHEMBL3953432 0.72 NPC1 (0.50) APPBCHEACHETMIGD3ADORA2A

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-115052604-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2022-09-13 CN disclosed