SCHEMBL27092971

SCHEMBL27092971

Nc1ncnc2c1ncn2[C@@H]1C[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNMT P50135 2/20 1.00
DOT1L Q8TEK3 5/20 0.67
CARM1 Q86X55 3/20 0.67
EHMT2 Q96KQ7 3/20 0.67
NSD2 O96028 3/20 0.67
SETD7 Q8WTS6 3/20 0.67
NNMT P40261 3/20 0.67
TRDMT1 O14717 2/20 0.67
PRMT5 O14744 2/20 0.67
INMT O95050 2/20 0.67
METTL3 Q86U44 2/20 0.67
PRMT1 Q99873 2/20 0.67
EHMT1 Q9H9B1 2/20 0.67
METTL14 Q9HCE5 2/20 0.67
EZH2 Q15910 2/20 0.67
DNMT1 P26358 2/20 0.67
DNMT3B Q9UBC3 2/20 0.67
SUV39H1 O43463 1/20 0.67
PRMT3 O60678 1/20 0.67
PNMT P11086 1/20 0.67

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
SCHEMBL27092976 1.00 HNMT (1.00) HNMTDOT1LCARM1EHMT2NSD2
SCHEMBL25864245 0.86 HNMT (0.75) HNMTDOT1LCARM1EHMT2NSD2
SCHEMBL27092929 0.84 HNMT (0.73) HNMTDOT1LCARM1EHMT2NSD2
SCHEMBL27092934 0.84 HNMT (0.73) HNMTDOT1LCARM1EHMT2NSD2
SCHEMBL23815575 0.83 HNMT (0.71) HNMTDOT1LCARM1EHMT2NSD2
S-Adenosylhomocysteine SCHEMBL18826562 0.80 DOT1L (1.00) HNMTDOT1LCARM1EHMT2NSD2
S-Adenosylhomocysteine SCHEMBL13033864 0.80 DOT1L (1.00) HNMTDOT1LCARM1EHMT2NSD2
S-Adenosylhomocysteine SCHEMBL17316165 0.80 DOT1L (1.00) HNMTDOT1LCARM1EHMT2NSD2
S-Adenosylhomocysteine SCHEMBL21160481 0.80 DOT1L (1.00) HNMTDOT1LCARM1EHMT2NSD2
S-Adenosylhomocysteine SCHEMBL10871157 0.80 DOT1L (1.00) HNMTDOT1LCARM1EHMT2NSD2

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-4324928-A1 SYNTHETIC REAGENTS FOR ENZYME-CATALYSED ALKYLATION Universität Basel (CH) 2024-02-21 EP claimed
EP-4324928-A1 SYNTHETIC REAGENTS FOR ENZYME-CATALYSED ALKYLATION Universität Basel (CH) 2024-02-21 EP disclosed