SCHEMBL28579686

SCHEMBL28579686

COC(=O)c1cn(CCCBr)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 1/20 0.37
ADAMTS5 Q9UNA0 2/20 0.36
QPCT Q16769 3/20 0.36
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
CPB2 Q96IY4 2/20 0.34
CPB1 P15086 1/20 0.34
SYK P43405 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
SCHEMBL28583235 0.95 MEN1 (0.40) MEN1KMT2AGRM2ADAMTS5QPCT
SCHEMBL28582761 0.94 MEN1 (0.39) MEN1KMT2AGRM2ADAMTS5QPCT
SCHEMBL28582759 0.94 MEN1 (0.39) MEN1KMT2AGRM2ADAMTS5QPCT
SCHEMBL26813648 0.86 CPB2 (0.42) MEN1KMT2AGRM2ADAMTS5QPCT
SCHEMBL26813651 0.86 CPB2 (0.45) MEN1KMT2AGRM2ADAMTS5QPCT
SCHEMBL5726708 0.85 CPB2 (0.45) MEN1KMT2AGRM2SMYD3CPB2
SCHEMBL24842023 0.84 MEN1 (0.40) MEN1KMT2AGRM2ADAMTS5QPCT
SCHEMBL24842800 0.84 MEN1 (0.40) MEN1KMT2AGRM2ADAMTS5QPCT
SCHEMBL2282033 0.83 CPB2 (0.45) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL15775548 0.81 MEN1 (0.43) MEN1KMT2AGRM2ADAMTS5MAPK1

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