SCHEMBL16203365

SCHEMBL16203365

Cc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
P2RY1 P47900 4/20 0.58
ENPP1 P22413 3/20 0.58
DTYMK P23919 4/20 0.57
P2RX3 P56373 4/20 0.55
P2RX2 Q9UBL9 3/20 0.55
P2RX1 P51575 3/20 0.55
P2RY2 P41231 2/20 0.52
P2RX4 Q99571 2/20 0.52
SRC P12931 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR17 Q13304 1/20 0.52
RNASEL Q05823 1/20 0.51

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
SCHEMBL16690937 0.91 POLB (0.60) POLBP2RY1ENPP1DTYMKP2RX3
SCHEMBL1763078 0.90 POLB (0.65) POLBP2RY1ENPP1DTYMKP2RX3
SCHEMBL245486 0.90 POLB (0.65) POLBP2RY1ENPP1DTYMKP2RX3
SCHEMBL29465233 0.90 POLB (0.65) POLBP2RY1ENPP1DTYMKP2RX3
SCHEMBL12943893 0.89 POLB (0.62) POLBP2RY1ENPP1DTYMKP2RX3
SCHEMBL5044161 0.89 POLB (0.80) POLBP2RY1ENPP1DTYMKP2RX3
SCHEMBL14471000 0.89 POLB (0.80) POLBP2RY1ENPP1DTYMKP2RX3
SCHEMBL703733 0.89 POLB (0.80) POLBP2RY1ENPP1DTYMKP2RX3
SCHEMBL17117824 0.89 POLB (0.64) POLBP2RY1ENPP1DTYMKP2RX3
SCHEMBL18785117 0.89 POLB (0.80) POLBP2RY1ENPP1DTYMKP2RX3

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
US-20140323354-A1 Chemically Modified Ligase Cofactors, Donors and Acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2014-10-30 US disclosed