SCHEMBL28518031

SCHEMBL28518031

O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2cccc(O)c2C1=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.81
KMT2A Q03164 3/20 0.81
CYP2C19 P33261 1/20 0.81
DNMT3B Q9UBC3 1/20 0.81
PKM P14618 1/20 0.81
MAPT P10636 3/20 0.61
MEN1 O00255 2/20 0.61
STAT3 P40763 1/20 0.60
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ERAP2 Q6P179 1/20 0.51
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
APAF1 O14727 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL30167914 0.90 KMT2A (1.00) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL164192 0.90 KMT2A (1.00) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL562060 0.90 KMT2A (1.00) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL11949518 0.90 KMT2A (1.00) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL29670670 0.86 DNMT1 (0.72) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL28511719 0.84 DNMT1 (0.69) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL28511721 0.84 DNMT1 (0.69) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL30463295 0.84 DNMT1 (0.69) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL19244078 0.83 DNMT1 (0.68) DNMT1KMT2ACYP2C19DNMT3BPKM
SCHEMBL5306820 0.79 KMT2A (0.80) DNMT1KMT2ACYP2C19DNMT3BPKM

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 2 patents. 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
CN-112390791-A DNA methyltransferase 1 fluorescent probe and application thereof 复旦大学 2021-02-23 CN disclosed