SCHEMBL29705107

SCHEMBL29705107

CCOC(=O)c1cn(C(C)(C)CN2CCCC2)c2ncc(B(O)O)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CSF1R P07333 1/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL20522102 1.00 PDE4B (0.39) PDE4BKMT2AMEN1ALDH1A1KDM4E
SCHEMBL29705167 0.87 LMNA (0.44) PDE4BKMT2AMEN1ALDH1A1KDM4E
SCHEMBL20520767 0.87 LMNA (0.44) PDE4BKMT2AMEN1ALDH1A1KDM4E
SCHEMBL20521434 0.80 LMNA (0.41) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL20521025 0.79 BAZ2B (0.44) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29705174 0.79 BAZ2B (0.44) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29705211 0.78 LMNA (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL20521839 0.78 LMNA (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL20521007 0.77 LMNA (0.39) PDE4BKMT2AMEN1ALDH1A1KDM4E
SCHEMBL29705126 0.77 LMNA (0.39) PDE4BKMT2AMEN1ALDH1A1KDM4E

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