SCHEMBL31349902

SCHEMBL31349902

C=C1O[C@@H](n2cc(C#N)c3c(=O)[nH]cnc32)[C@H](O)[C@@H]1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.41
HIF1A Q16665 1/20 0.33
PAX8 Q06710 1/20 0.33
DOT1L Q8TEK3 2/20 0.33
PRMT5 O14744 1/20 0.33
PRMT3 O60678 1/20 0.33
DNMT1 P26358 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
P2RX3 P56373 1/20 0.32
STING1 Q86WV6 1/20 0.31
RNMT O43148 1/20 0.31
TYMP P19971 2/20 0.31

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
SCHEMBL6877374 0.75 ADK (0.48) ADKHIF1APAX8DOT1LPRMT5
SCHEMBL31093987 0.74 PAX8 (0.55) ADKHIF1APAX8DOT1LPRMT5
SCHEMBL31228418 0.72 ADK (0.39) ADKHIF1APAX8DOT1LPRMT5
SCHEMBL7110326 0.69 LMNA (0.48) HIF1A
SCHEMBL7107003 0.69 LMNA (0.48) HIF1A
SCHEMBL6466516 0.67 ADORA2A (0.45) ADKHIF1APAX8
SCHEMBL12154587 0.63 PNP (0.45) ADKHIF1APAX8DOT1LSTING1
SCHEMBL6731792 0.63 PNP (0.45) ADKHIF1APAX8DOT1LSTING1
SCHEMBL12150669 0.63 PNP (0.45) ADKHIF1APAX8DOT1LSTING1
SCHEMBL12746824 0.63 PNP (0.45) ADKHIF1APAX8DOT1LSTING1

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
CN-119143815-A Preparation method of 3' -methoxy nucleoside analogue 杭州中美华东制药有限公司 2024-12-17 CN disclosed