SCHEMBL25329353

SCHEMBL25329353

CC(C)(C)C(=O)ONCCCCCCCN1CC(N)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL25329352 0.80 TDP1 (0.46) KMT2A
SCHEMBL25328809 0.77 KMT2A (0.38) KMT2ACYP2C19RAB9A
SCHEMBL25021979 0.73 GBA1 (0.44) L3MBTL1
Trifluoroacetic Acid SCHEMBL30306871 0.71 PTGER4 (0.39) L3MBTL1
SCHEMBL14378864 0.67 PAOX (0.46) KMT2ARECQL
SCHEMBL4760430 0.67 BRD4 (0.33) KMT2ARAB9A
SCHEMBL28184077 0.67 PAOX (0.46) KMT2ARECQL
SCHEMBL374144 0.67 POLB (0.33) L3MBTL1KMT2ARAB9A
SCHEMBL974356 0.67 POLB (0.33) L3MBTL1KMT2ARAB9A
SCHEMBL4760434 0.66 KMT2A (0.38) KMT2ARAB9A

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
WO-2023143482-A1 2-AMINOPYRIMIDINE COMPOUND OR SALT, PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-08-03 WO disclosed