SCHEMBL24547602

SCHEMBL24547602

O=C(Nc1cnn([C@@H]2O[C@H](CO)C[C@H]2O)c(=O)n1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.36
▸ ABL1 P00519 9/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ ADORA2A P29274 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CLK2 P49760 1/20 0.32

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
SCHEMBL24547604 0.96 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL24547598 0.84 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPOLBALDH1A1ABL1
SCHEMBL24547603 0.84 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL24584241 0.82 LMNA (0.62) SMN1; SMN2LMNAPOLBALDH1A1ADORA2A
SCHEMBL24547599 0.81 DNMT1 (0.45) SMN1; SMN2LMNAPOLBALDH1A1DYRK1A
SCHEMBL24547564 0.80 ABL1 (0.49) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL24547620 0.80 ABL1 (0.49) SMN1; SMN2LMNAPOLBALDH1A1HPGD
SCHEMBL24547629 0.79 LMNA (0.46) SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL24547600 0.78 LMNA (0.60) SMN1; SMN2LMNAPOLBALDH1A1ADORA2A
SCHEMBL24547645 0.77 DNMT1 (0.43) SMN1; SMN2LMNAPOLBALDH1A1ADORA2A

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-2022133323-A1 6-AZA-NUCLEOSIDE PRODRUGS AS ANTIVIRAL AGENTS FOR TREATING VIRUS INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2022-06-23 — — WO disclosed
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