SCHEMBL28854569

SCHEMBL28854569

CC(C)(C)OC(=O)N1C=CC=CC1.CN1CCN(N)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
ESR2 Q92731 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PREP P48147 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
SCHEMBL1838102 0.85 PREP (0.37) NR1H2ESR2USP2SMN1; SMN2PREP
Hydrochloric Acid SCHEMBL28241841 0.84 PREP (0.36) NR1H2ESR2USP2SMN1; SMN2PREP
SCHEMBL28856336 0.84 CHRM2 (0.38) NR1H2ESR2USP2SMN1; SMN2PREP
Pyrrole SCHEMBL28865869 0.79 GPR119 (0.32) NR1H2USP2SMN1; SMN2PREP
Piperazine SCHEMBL28059508 0.79 PREP (0.33) NR1H2ESR2USP2SMN1; SMN2PREP
SCHEMBL28222533 0.75 MAPK1 (0.35) NR1H2ESR2USP2SMN1; SMN2PREP
SCHEMBL28113304 0.74 SIGMAR1 (0.32) NR1H2
SCHEMBL28171085 0.74 MAPT (0.39)
SCHEMBL28171129 0.74 MAPT (0.39)
SCHEMBL28244009 0.74 PARP1 (0.32)

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-104822267-B The inhibitor and its application method that hepatitis b virus covalence closed cyclic DNA is formed 巴鲁克·S·布伦博格研究所 2018-01-23 CN disclosed