SCHEMBL31344845

SCHEMBL31344845

N#Cc1cc2c(c(I)c1N)OCC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.33
PARP1 P09874 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
MAPKAPK2 P49137 1/20 0.31

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
SCHEMBL25366255 0.77 PARP1 (0.36) XDHPARP1SLC22A12
SCHEMBL31344805 0.69 MAOA (0.36) XDHSLC22A12MAPKAPK2
SCHEMBL8186519 0.68 XDH (0.34) XDHPARP1SLC22A12
SCHEMBL31344821 0.68 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL31344822 0.68 LMNA (0.38) MAPKAPK2
SCHEMBL22010905 0.66 PARP1 (0.33) PARP1
SCHEMBL5035685 0.66 HTR4 (0.41)
SCHEMBL23199575 0.65 XDH (0.34) XDHPARP1SLC22A12
SCHEMBL24517017 0.65 PRKCI (0.34) MAPKAPK2
SCHEMBL29618388 0.65 PRKCI (0.34) MAPKAPK2

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-119569651-A Carboxamide derivatives, pharmaceutical compositions containing the same, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-03-07 CN disclosed