SCHEMBL25328809

SCHEMBL25328809

NC1CCC(=O)N(CCCCCCCNC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP2C19 P33261 1/20 0.33

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 0.82 TDP1 (0.46) KMT2AMEN1
SCHEMBL25329353 0.77 L3MBTL1 (0.32) KMT2ARAB9ACYP2C19
SCHEMBL25021979 0.77 GBA1 (0.44)
Trifluoroacetic Acid SCHEMBL30306871 0.75 PTGER4 (0.39)
SCHEMBL4760430 0.73 BRD4 (0.33) KMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL4339603 0.71 BRD4 (0.33) KMT2ANPC1RAB9A
SCHEMBL974356 0.70 POLB (0.33) KMT2ANPC1RAB9A
SCHEMBL374144 0.70 POLB (0.33) KMT2ANPC1RAB9A
SCHEMBL893175 0.69 MAPK1 (0.37)
SCHEMBL5656878 0.69 RAB9A (0.61) KMT2AMEN1NPC1RAB9A

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