SCHEMBL21162566

SCHEMBL21162566

C[C@H](NP(=O)(OC[C@H]1OC(n2cnc3c(N)ncnc32)CC1O)Oc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
ENPP1 P22413 3/20 0.53
P2RY1 P47900 2/20 0.53
AHCY P23526 1/20 0.47
DOT1L Q8TEK3 4/20 0.45
P2RY12 Q9H244 2/20 0.45
P2RY2 P41231 1/20 0.45
DTYMK P23919 2/20 0.44

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
SCHEMBL22348794 1.00 POLB (0.54) POLBENPP1P2RY1AHCYDOT1L
SCHEMBL22348799 1.00 POLB (0.54) POLBENPP1P2RY1AHCYDOT1L
SCHEMBL22348864 0.95 POLB (0.51) POLBENPP1P2RY1AHCYDOT1L
SCHEMBL22348862 0.95 POLB (0.51) POLBENPP1P2RY1AHCYDOT1L
SCHEMBL21162568 0.95 POLB (0.51) POLBENPP1P2RY1AHCYDOT1L
SCHEMBL23187796 0.93 POLB (0.56) POLBENPP1P2RY1P2RY12P2RY2
SCHEMBL22348860 0.93 POLB (0.56) POLBENPP1P2RY1P2RY12P2RY2
SCHEMBL19821278 0.92 POLB (0.54) POLBENPP1P2RY1P2RY2DTYMK
SCHEMBL19821262 0.92 POLB (0.54) POLBENPP1P2RY1P2RY2DTYMK
SCHEMBL21162567 0.92 POLB (0.55) POLBENPP1P2RY1DTYMK

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-2019136389-A1 NUCLEOTIDE PRODRUGS CERECOR, INC. (US) 2019-07-11 WO disclosed