SCHEMBL27387953

SCHEMBL27387953

C=C[C@]1(CO)C[C@@H](n2cnc3c(N)nc(SC)nc32)C(O)C1O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 8/20 0.49
▸ ADORA3 P0DMS8 2/20 0.44
▸ BLM P54132 2/20 0.43
▸ P2RY12 Q9H244 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PMP22 Q01453 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ AHCY P23526 1/20 0.42
▸ ENPP1 P22413 1/20 0.42

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
SCHEMBL22399998 0.84 P2RY1 (0.52) P2RY1ADORA3BLMP2RY12LMNA
SCHEMBL19807561 0.84 P2RY1 (0.52) P2RY1ADORA3BLMP2RY12LMNA
SCHEMBL19465002 0.84 P2RY1 (0.52) P2RY1ADORA3BLMP2RY12LMNA
SCHEMBL19464889 0.84 P2RY1 (0.52) P2RY1ADORA3BLMP2RY12LMNA
SCHEMBL19503291 0.84 P2RY1 (0.52) P2RY1ADORA3BLMP2RY12LMNA
SCHEMBL23098404 0.84 P2RY1 (0.52) P2RY1ADORA3BLMP2RY12LMNA
SCHEMBL19807393 0.80 P2RY1 (0.50) P2RY1ADORA3BLMP2RY12LMNA
SCHEMBL24178109 0.77 P2RY1 (0.49) P2RY1ADORA3BLMP2RY12LMNA
SCHEMBL19464891 0.76 SLC28A1 (0.67) P2RY1ADORA3AHCY
SCHEMBL22399999 0.75 AHCY (0.73) P2RY1ADORA3AHCY

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-2024097387-A1 COMPOSITIONS FOR INTRAVENOUS ADMINISTRATION ASTROCYTE PHARMACEUTICALS, INC. (US) 2024-05-10 — — WO disclosed
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