SCHEMBL29705187

SCHEMBL29705187

CCN(C(=O)OC(C)(C)C)n1cc(C(=O)O)c(=O)c2cc(B(O)O)cnc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
CASP1 P29466 1/20 0.32
MEN1 O00255 1/20 0.31
ABCC4 O15439 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20521323 1.00 LMNA (0.32) LMNACASP1MEN1ABCC4PKM
SCHEMBL23654372 0.81 LMNA (0.36) LMNACASP1MEN1ABCC4PKM
SCHEMBL29705123 0.81 KDM4E (0.35) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL20521561 0.81 KDM4E (0.35) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL20521183 0.79 KDM4E (0.35) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL29705146 0.79 KDM4E (0.35) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL20520759 0.77 GSK3B (0.31) LMNACASP1KDM4EALDH1A1HPGD
SCHEMBL29705203 0.77 GSK3B (0.31) LMNACASP1KDM4EALDH1A1HPGD
SCHEMBL28735837 0.76 LMNA (0.33) LMNACASP1MEN1ABCC4PKM
SCHEMBL25335713 0.73 LMNA (0.30) LMNACASP1HSD17B10

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