SCHEMBL28995229

SCHEMBL28995229

Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.56
ADRB1 P08588 1/20 0.56
ADK P55263 1/20 0.48
DNMT3B Q9UBC3 2/20 0.47
PNP P00491 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
FPR2 P25090 1/20 0.44

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
SCHEMBL30698161 0.82 DNMT1 (0.53) DNMT1ADRB1DNMT3B
SCHEMBL5983046 0.80 DNMT1 (0.58) DNMT1ADRB1ADKDNMT3B
SCHEMBL5983051 0.80 DNMT1 (0.58) DNMT1ADRB1ADKDNMT3B
SCHEMBL5872523 0.80 DNMT1 (0.56) DNMT1ADRB1ADKDNMT3BPNP
SCHEMBL5872516 0.80 DNMT1 (0.56) DNMT1ADRB1ADKDNMT3BPNP
SCHEMBL5983766 0.79 DNMT1 (0.66) DNMT1ADRB1DNMT3BPNPLMNA
SCHEMBL5983760 0.79 DNMT1 (0.66) DNMT1ADRB1DNMT3BPNPLMNA
SCHEMBL530280 0.78 DNMT1 (0.65) DNMT1ADRB1DNMT3BPNPLMNA
SCHEMBL529289 0.78 DNMT1 (0.65) DNMT1ADRB1DNMT3BPNPLMNA
SCHEMBL30698157 0.78 DNMT1 (0.53) DNMT1ADRB1DNMT3B

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-114901086-B Tobacco treatment 英美烟草(投资)有限公司 2024-05-31 CN disclosed
CN-114901086-A Tobacco treatment 英美烟草(投资)有限公司 2022-08-12 CN disclosed