SCHEMBL4425850

SCHEMBL4425850

COCCOC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.56
ADORA1 P30542 5/20 0.54
P2RY1 P47900 4/20 0.54
P2RY2 P41231 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
SRC P12931 2/20 0.54
DNPH1 O43598 2/20 0.54
PRKAB2 O43741 1/20 0.54
TRPM2 O94759 1/20 0.54
LDHA P00338 1/20 0.54
ADRB2 P07550 1/20 0.54
FBP1 P09467 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PDE4D Q08499 1/20 0.54
KCNH2 Q12809 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PDE3A Q14432 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54

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
SCHEMBL41365 0.90 ADORA3 (0.66) ADORA3ADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL780585 0.90 ADORA3 (0.66) ADORA3ADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL4581742 0.88 P2RY1 (0.70) ADORA3ADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL12541780 0.85 DOT1L (0.54) ADORA3ADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL28672421 0.84 P2RY1 (0.57) ADORA3ADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL21839786 0.84 RNASEL (0.66) ADORA1P2RY1P2RY2SMN1; SMN2SRC
SCHEMBL900708 0.83 ADORA1 (0.70) ADORA3ADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL28687027 0.83 P2RY1 (0.56) ADORA3ADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL8768536 0.83 DNPH1 (0.54) ADORA3ADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL11647168 0.82 P2RY1 (0.68) ADORA1P2RY1P2RY2SMN1; SMN2SRC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019801-A1 SYSTEMS AND METHODS FOR PROMOTING TRANS-SPLICING TACIT THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
EP-4125930-A1 DUAL-ACTING SIRNA BASED MODULATION OF C9ORF72 University Of Massachusetts (US) 2023-02-08 EP disclosed
WO-2021195510-A1 DUAL-ACTING SIRNA BASED MODULATION OF C9ORF72 UNIVERSITY OF MASSACHUSETTS (US) 2021-09-30 WO disclosed
EP-2046993-A2 RNA SILENCING COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUNTINGTON'S DISEASE University of Massachusetts (US) 2009-04-15 EP disclosed
WO-2008005562-A2 RNA SILENCING COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUNTINGTON'S DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2008-01-10 WO disclosed