SCHEMBL30875685

SCHEMBL30875685

COc1cc2c(cc1N)C(=O)N(C)CC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BRD4 O60885 2/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRM5 P41594 1/20 0.45
S100B P04271 1/20 0.44
LRRK2 Q5S007 2/20 0.42
DRD2 P14416 2/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
SLC6A4 P31645 1/20 0.41
HPGD P15428 2/20 0.41
S1PR2 O95136 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE4D Q08499 1/20 0.41
AOC3 Q16853 1/20 0.40

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
SCHEMBL24869723 1.00 MEN1 (0.77) MEN1KMT2AGAASMN1; SMN2BRD4
SCHEMBL20214033 0.91 MEN1 (0.64) MEN1KMT2AGAASMN1; SMN2BRD4
SCHEMBL30883376 0.87 MEN1 (1.00) MEN1KMT2AGAASMN1; SMN2BRD4
SCHEMBL11923834 0.87 MEN1 (1.00) MEN1KMT2AGAASMN1; SMN2BRD4
SCHEMBL2061017 0.85 MEN1 (0.64) MEN1KMT2AGAASMN1; SMN2BRD4
SCHEMBL14993330 0.84 MEN1 (0.54) MEN1KMT2AGAASMN1; SMN2BRD4
SCHEMBL29989787 0.84 MEN1 (0.54) MEN1KMT2AGAASMN1; SMN2BRD4
Thalifoline SCHEMBL29961712 0.82 MEN1 (0.77) MEN1KMT2AGAASMN1; SMN2BRD4
SCHEMBL25946921 0.81 MEN1 (0.75) MEN1KMT2AGAASMN1; SMN2BRD4
SCHEMBL16519579 0.80 MEN1 (0.79) MEN1KMT2AGAASMN1; SMN2BRD4

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-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 CN disclosed