SCHEMBL31286397

SCHEMBL31286397

COc1cc(C(F)(F)F)c(C(C)N(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
POLB P06746 1/20 0.36
CYP11B2 P19099 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
OXTR P30559 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
AR P10275 4/20 0.33
PGR P06401 1/20 0.33
FLT4 P35916 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 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
SCHEMBL20907133 0.83 MEN1 (0.42) MEN1KMT2AGAANPSR1MAPT
SCHEMBL21027835 0.73 MEN1 (0.47) MEN1KMT2AGAANPSR1MAPT
SCHEMBL29863196 0.72 GAA (0.50) MEN1KMT2AGAANPSR1MAPT
SCHEMBL23249384 0.72 GAA (0.50) MEN1KMT2AGAANPSR1MAPT
SCHEMBL17071825 0.71 MEN1 (0.49) MEN1KMT2AGAANPSR1MAPT
SCHEMBL677094 0.71 MEN1 (0.43) MEN1KMT2AGAANPSR1MAPT
SCHEMBL21459396 0.70 GAA (0.43) MEN1KMT2AGAANPSR1MAPT
SCHEMBL29610740 0.70 GAA (0.43) MEN1KMT2AGAANPSR1MAPT
SCHEMBL8429223 0.69 NNMT (0.46) MEN1KMT2AGAANPSR1MAPT
SCHEMBL29002103 0.69 MEN1 (0.42) MEN1KMT2AGAANPSR1MAPT

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-119192137-A Inhibition of human integrin alpha4β7 莫菲克医疗股份有限公司 2024-12-27 CN disclosed