SCHEMBL29385334

SCHEMBL29385334

CC1Cc2c[nH]cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 2/20 0.38
NR1H2 P55055 2/20 0.37
MAPK1 P28482 2/20 0.37
SETD7 Q8WTS6 2/20 0.36
ESR2 Q92731 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NAMPT P43490 1/20 0.34
BCHE P06276 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL29376321 0.82 NAMPT (0.48) MEN1KMT2APTPN1MAPK1HDAC8
SCHEMBL12013723 0.82 NAMPT (0.48) MEN1KMT2APTPN1MAPK1HDAC8
SCHEMBL14138611 0.82 NAMPT (0.48) MEN1KMT2APTPN1MAPK1HDAC8
SCHEMBL23794828 0.81 NR1H2 (0.39) MEN1KMT2APTPN1NR1H2MAPK1
SCHEMBL26260560 0.81 NR1H2 (0.39) MEN1KMT2APTPN1NR1H2MAPK1
SCHEMBL29384815 0.80 MEN1 (0.39) MEN1KMT2APTPN1NR1H2MAPK1
SCHEMBL23868269 0.80 MEN1 (0.39) MEN1KMT2APTPN1NR1H2MAPK1
SCHEMBL23868265 0.80 MEN1 (0.39) MEN1KMT2APTPN1NR1H2MAPK1
SCHEMBL34469262 0.77 MEN1 (0.41) MEN1KMT2APTPN1NR1H2SETD7
SCHEMBL18435512 0.77 ESR2 (0.59) MEN1KMT2APTPN1NR1H2ESR2

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-114057739-A Diazepinone derivatives and their use in the treatment of hepatitis b infections 诺维拉治疗公司 2022-02-18 CN disclosed