SCHEMBL30463296

SCHEMBL30463296

COC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.74
DNMT1 P26358 3/20 0.74
CYP2C19 P33261 1/20 0.74
DNMT3B Q9UBC3 1/20 0.74
PKM P14618 1/20 0.74
STAT3 P40763 1/20 0.54
PTGS2 P35354 2/20 0.53
MEN1 O00255 5/20 0.52
HCRTR1 O43613 1/20 0.52
SDCBP O00560 1/20 0.52
SDC2 P34741 1/20 0.52
MIF P14174 1/20 0.51
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49

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
SCHEMBL7664564 1.00 KMT2A (0.74) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL14077019 0.88 DNMT1 (0.61) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL14066847 0.87 DNMT1 (0.60) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL14066857 0.87 DNMT1 (0.60) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL3087159 0.86 DNMT1 (0.56) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL883644 0.86 KMT2A (0.74) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL30167914 0.85 KMT2A (1.00) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL562060 0.85 KMT2A (1.00) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL11949518 0.85 KMT2A (1.00) KMT2ADNMT1CYP2C19DNMT3BPKM
SCHEMBL164192 0.85 KMT2A (1.00) KMT2ADNMT1CYP2C19DNMT3BPKM

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-112390791-B DNA methyltransferase 1 fluorescent probe and application thereof 复旦大学 2023-08-01 CN disclosed