SCHEMBL22010475

SCHEMBL22010475

COc1ccc(CN(C)Cc2c(C)oc3c(Br)cccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ACHE P22303 8/20 0.41
SMPD1 P17405 1/20 0.40
BCHE P06276 3/20 0.40
PYCR1 P32322 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21964039 0.86 KMT2A (0.57) KMT2AMEN1ACHESMPD1BCHE
SCHEMBL21963860 0.81 KMT2A (0.44) KMT2AMEN1ACHESMPD1BCHE
SCHEMBL22010476 0.78 SLC6A4 (0.42) KMT2AMEN1ACHEPYCR1
SCHEMBL21963733 0.78 KMT2A (0.46) KMT2AMEN1ACHESMPD1BCHE
SCHEMBL21963819 0.76 KMT2A (0.48) KMT2AMEN1ACHESMPD1PYCR1
SCHEMBL21964003 0.76 MEN1 (0.39) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL21963920 0.74 KCNH2 (0.39) KMT2AMEN1ACHEBCHE
SCHEMBL24923421 0.73 LOXL2 (0.34)
SCHEMBL4611890 0.71 PYCR1 (0.69) KMT2AMEN1ACHESMPD1BCHE
SCHEMBL29958539 0.68 HTR2C (0.34) KMT2AMEN1HPGD

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