SCHEMBL25328102

SCHEMBL25328102

CC(C)(C)C(=O)ONCCCCCCBr

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
FAAH O00519 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
SCHEMBL19611882 0.92
SCHEMBL28824126 0.83 EPHX1 (0.46) CNR2FAAH
SCHEMBL14378864 0.81 PAOX (0.46) TDP1
Ammonia Solution, Strong SCHEMBL28111373 0.81 EPHX1 (0.44) CNR2FAAH
SCHEMBL28184077 0.81 PAOX (0.46) TDP1
SCHEMBL27856421 0.79 TDP1 (0.39) TDP1CNR2
SCHEMBL28132626 0.74 GRM4 (0.31)
SCHEMBL28251787 0.74 KISS1R (0.36)
SCHEMBL27546682 0.74 KDM4C (0.35) TDP1CNR2
SCHEMBL27541532 0.74 CNR2 (0.38) TDP1CNR2

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