SCHEMBL29705114

SCHEMBL29705114

CCOC(=O)c1cn(CC(C)(C)NC(=O)OC(C)(C)C)c2ncc(B(O)O)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL20520912 1.00 LMNA (0.37) LMNAPOLBKMT2ATDP1KDM4E
SCHEMBL20521434 0.85 LMNA (0.41) LMNAPOLBKMT2ATDP1KDM4E
SCHEMBL20521075 0.83 CA1 (0.38) LMNAPOLBKMT2ATDP1KDM4E
SCHEMBL29705106 0.83 CA1 (0.38) LMNAPOLBKMT2ATDP1KDM4E
SCHEMBL20521007 0.83 LMNA (0.39) LMNAPOLBKMT2ATDP1KDM4E
SCHEMBL29705126 0.83 LMNA (0.39) LMNAPOLBKMT2ATDP1KDM4E
SCHEMBL29705211 0.82 LMNA (0.50) LMNAPOLBKMT2ATDP1KDM4E
SCHEMBL20521839 0.82 LMNA (0.50) LMNAPOLBKMT2ATDP1KDM4E
SCHEMBL20521317 0.80 LMNA (0.36) LMNAPOLBKMT2ATDP1KDM4E
SCHEMBL29705104 0.80 LMNA (0.36) LMNAPOLBKMT2ATDP1KDM4E

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-110475777-B Novel pyrido [2,3-b ] indole compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2022-04-15 CN disclosed