SCHEMBL7520080

SCHEMBL7520080

C#CC[C@]1(N2C=CC(N)N(N)C2=O)C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 13/20 0.35
P2RY4 P51582 5/20 0.35
P2RY6 Q15077 2/20 0.34
POLA1 P09884 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 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
SCHEMBL886859 0.76 POLG (0.41) P2RY2P2RY4P2RY6P2RX1P2RX3
SCHEMBL3485976 0.76 P2RY6 (0.41) P2RY2P2RY4P2RY6POLA1P2RX3
SCHEMBL5708922 0.76 POLG (0.48) P2RY2P2RY4P2RY6
SCHEMBL10900419 0.66 POLG (0.49) P2RY2P2RY4P2RY6
SCHEMBL6038233 0.66 POLG (0.50) P2RY2P2RY4P2RY6
SCHEMBL28293726 0.65 P2RY6 (0.58) P2RY2P2RY4P2RY6POLA1
SCHEMBL5191085 0.65 POLB (0.50) P2RY2P2RY4P2RY6POLA1
SCHEMBL597307 0.64 POLG (0.49) P2RY2P2RY4P2RY6
SCHEMBL8436036 0.64 P2RY6 (0.58) P2RY2P2RY4P2RY6POLA1
SCHEMBL95680 0.64 P2RY6 (0.54) P2RY2P2RY4P2RY6POLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001032928-A9 METHODS OF DETERMINING INDIVIDUAL HYPERSENSITIVITY TO AN AGENT PHASE 1 MOLECULAR TOXICOLOGY (US) 2002-05-16 WO disclosed
WO-2001032928-A2 METHODS OF DETERMINING INDIVIDUAL HYPERSENSITIVITY TO AN AGENT PHASE-1 MOLECULAR TOXICOLOGY (US) 2001-05-10 WO disclosed