SCHEMBL22972736

SCHEMBL22972736

Nc1ncnn2c(C3C[C@H](O)[C@@H](CO)O3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ DOT1L Q8TEK3 3/20 0.37
▸ POLRMT O00411 1/20 0.37
▸ PNP P00491 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ STING1 Q86WV6 1/20 0.34
▸ GALR3 O60755 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL25008844 1.00 ADRB1 (0.40) ADRB1DNMT1ADORA3ADORA2ADOT1L
SCHEMBL30560912 1.00 ADRB1 (0.40) ADRB1DNMT1ADORA3ADORA2ADOT1L
SCHEMBL10154373 1.00 ADRB1 (0.40) ADRB1DNMT1ADORA3ADORA2ADOT1L
SCHEMBL24606235 1.00 ADRB1 (0.40) ADRB1DNMT1ADORA3ADORA2ADOT1L
SCHEMBL26268832 0.89 DOT1L (0.39) DOT1LPOLRMTSTING1ACVRL1
SCHEMBL19412423 0.87 DOT1L (0.37) ADRB1DNMT1ADORA3ADORA2ADOT1L
SCHEMBL17114389 0.83 DOT1L (0.33) DOT1LPOLRMT
SCHEMBL26282567 0.82 DOT1L (0.38) DOT1LPOLRMT
SCHEMBL25400732 0.82 DOT1L (0.38) DOT1LPOLRMT
SCHEMBL26946941 0.82 DOT1L (0.38) DOT1LPOLRMT

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
WO-2021022690-A1 NUCLEOSIDE SALT AND PREPARATION METHOD THEREFOR 木天(济南)生物科技有限公司 2021-02-11 — — WO disclosed
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