SCHEMBL22010529

SCHEMBL22010529

COc1ccc(CN(C)Cc2c(C)sc3c(Oc4cccc(OC)c4)cccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
PYCR1 P32322 1/20 0.39
ACHE P22303 4/20 0.38
SMPD1 P17405 1/20 0.37
GNRHR P30968 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
BCHE P06276 1/20 0.35
HSD17B2 P37059 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 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
SCHEMBL31033278 1.00 KMT2A (0.44) KMT2AMEN1PYCR1ACHESMPD1
SCHEMBL21963819 0.83 KMT2A (0.48) KMT2AMEN1PYCR1ACHESMPD1
SCHEMBL22010534 0.81 KMT2A (0.57) KMT2AMEN1PYCR1ACHESMPD1
SCHEMBL21963860 0.79 KMT2A (0.44) KMT2AMEN1PYCR1ACHESMPD1
SCHEMBL22010531 0.78 MTNR1B (0.40) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL31033275 0.76 KDM4E (0.38) KMT2AMEN1ACHEHSD17B2
SCHEMBL9416597 0.70 ACHE (0.59) KMT2AMEN1PYCR1ACHETAS2R14
SCHEMBL21964003 0.68 MEN1 (0.39) KMT2AMEN1
SCHEMBL30093216 0.67 CALM1 (0.60) KMT2AMEN1ACHEBCHE
SCHEMBL4611890 0.67 PYCR1 (0.69) KMT2AMEN1PYCR1ACHESMPD1

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
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