SCHEMBL22010471

SCHEMBL22010471

CC(O)(CNc1cc(Br)cnc1N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 5/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 4/20 0.36
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 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
SCHEMBL22010914 0.89 NPC1 (0.39) HSD17B10GAAKDM4EKMT2AHTT
SCHEMBL31033302 0.89 NPC1 (0.39) HSD17B10GAAKDM4EKMT2AHTT
SCHEMBL22010745 0.88 HSD17B10 (0.39) HSD17B10GAAKDM4EKMT2AHTT
SCHEMBL31033322 0.88 HSD17B10 (0.39) HSD17B10GAAKDM4EKMT2AHTT
SCHEMBL22010713 0.85 HSD17B10 (0.36) HSD17B10GAAKDM4EKMT2AHTT
SCHEMBL31033320 0.81 HSD17B10 (0.39) HSD17B10GAAKDM4EKMT2AHTT
SCHEMBL22010908 0.81 HSD17B10 (0.39) HSD17B10GAAKDM4EKMT2AHTT
Lithium Ion SCHEMBL31497986 0.77 HSD17B10 (0.37) HSD17B10GAAKDM4EKMT2AGFER
SCHEMBL22010535 0.77 LDHA (0.37) HSD17B10KDM4EKMT2AHTTNPC1
Hydrochloric Acid SCHEMBL21963994 0.76 LDHA (0.37) HSD17B10KDM4EKMT2AHTTNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272302-B Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof 德彪药业国际股份公司 2024-08-13 CN disclosed
CN-113272302-A Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use 德彪药业国际股份公司 2021-08-17 CN disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed