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SCHEMBL536404

SCHEMBL536404

Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CSCC(O)C(O)CSOC[C@H]1O[C@@H](n2cc(CNO)c(N)nc2=O)C[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 11/20 0.56
▸ DNMT3B Q9UBC3 5/20 0.54
▸ FPR2 P25090 4/20 0.46
▸ ADRB1 P08588 1/20 0.42

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
SCHEMBL15996543 0.84 DNMT1 (0.67) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536396 0.84 DNMT1 (0.67) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536395 0.84 DNMT1 (0.67) DNMT1DNMT3BFPR2ADRB1
SCHEMBL535971 0.83 DNMT1 (0.68) DNMT1DNMT3BFPR2ADRB1
SCHEMBL535972 0.83 DNMT1 (0.68) DNMT1DNMT3BFPR2ADRB1
SCHEMBL15996544 0.83 DNMT1 (0.68) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536435 0.77 DNMT1 (0.83) DNMT1DNMT3BFPR2ADRB1
SCHEMBL3439728 0.77 DNMT1 (0.83) DNMT1DNMT3BFPR2ADRB1
SCHEMBL15996532 0.77 DNMT1 (0.83) DNMT1DNMT3BFPR2ADRB1
SCHEMBL536436 0.77 DNMT1 (0.83) DNMT1DNMT3BFPR2ADRB1

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
EP-2414528-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 — — EP disclosed
WO-2010115846-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2010-10-14 — — WO disclosed