SCHEMBL28583235

SCHEMBL28583235

COC(=O)c1cn(CCCCBr)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 0.37
GRM2 Q14416 1/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
QPCT Q16769 3/20 0.35
CPB2 Q96IY4 2/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.34
CPB1 P15086 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
SYK P43405 1/20 0.33
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL28582761 0.99 MEN1 (0.39) MEN1KMT2AMAPK1GRM2ADAMTS5
SCHEMBL28582759 0.99 MEN1 (0.39) MEN1KMT2AMAPK1GRM2ADAMTS5
SCHEMBL28579686 0.95 MEN1 (0.41) MEN1KMT2AMAPK1GRM2ADAMTS5
SCHEMBL5726708 0.87 CPB2 (0.45) MEN1KMT2AGRM2CPB2CPB1
SCHEMBL24842023 0.85 MEN1 (0.40) MEN1KMT2AMAPK1GRM2ADAMTS5
SCHEMBL24842800 0.85 MEN1 (0.40) MEN1KMT2AMAPK1GRM2ADAMTS5
SCHEMBL26813648 0.85 CPB2 (0.42) MEN1KMT2AMAPK1GRM2ADAMTS5
SCHEMBL26813651 0.85 CPB2 (0.45) MEN1KMT2AGRM2ADAMTS5QPCT
SCHEMBL2282033 0.81 CPB2 (0.45) MEN1KMT2AMAPK1GRM2ADAMTS5
SCHEMBL15775548 0.80 MEN1 (0.43) MEN1KMT2AMAPK1GRM2ADAMTS5

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-109336944-B Tripterine imidazole derivative and preparation method and application thereof 中国药科大学 2021-04-27 CN disclosed