SCHEMBL31033320

SCHEMBL31033320

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TMPRSS15 P98073 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
SHMT2 P34897 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL22010908 1.00 HSD17B10 (0.39) HSD17B10GAAKDM4ETMPRSS15KMT2A
SCHEMBL22010745 0.88 HSD17B10 (0.39) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL31033322 0.88 HSD17B10 (0.39) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL22010914 0.86 NPC1 (0.39) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL31033302 0.86 NPC1 (0.39) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL22010471 0.81 HSD17B10 (0.38) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL22010910 0.80 CYP2C19 (0.40) GAATMPRSS15KMT2AMEN1POLB
SCHEMBL2840320 0.78 SHMT2 (0.40) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL22010713 0.78 HSD17B10 (0.36) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL31497996 0.77 KDM4E (0.45) HSD17B10GAAKDM4EKMT2AMEN1

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-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