SCHEMBL15713383

SCHEMBL15713383

O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](n2cnc3c(Cl)nc(Cl)nc32)O1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.46
▸ P2RY1 P47900 8/20 0.46
▸ P2RY2 P41231 2/20 0.46
▸ GPR17 Q13304 2/20 0.44
▸ P2RY11 Q96G91 3/20 0.43
▸ ENPP1 P22413 2/20 0.42
▸ P2RX1 P51575 2/20 0.42
▸ P2RX3 P56373 2/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ P2RY12 Q9H244 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41

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
SCHEMBL15713278 0.91 NT5E (0.49) NT5EP2RY1P2RY11LMNATP53
SCHEMBL22508597 0.90 P2RY1 (0.58) NT5EP2RY1P2RY2GPR17P2RY11
SCHEMBL13604126 0.88 P2RX3 (0.49) P2RY1P2RY2GPR17P2RX1P2RX3
SCHEMBL6264026 0.85 P2RX3 (0.43) P2RY1GPR17P2RY11ENPP1P2RX1
SCHEMBL17117775 0.84 NT5E (0.64) NT5EP2RY1P2RY2GPR17P2RY11
SCHEMBL25581750 0.84 NT5E (0.53) NT5EP2RY1P2RY2P2RY11ENPP1
SCHEMBL12932285 0.83 P2RY1 (0.52) NT5EP2RY1P2RY2GPR17P2RY11
SCHEMBL1064322 0.83 P2RY1 (0.52) NT5EP2RY1P2RY2GPR17P2RY11
SCHEMBL9601455 0.82 NT5E (0.61) NT5EP2RY1P2RY2P2RY11LMNA
SCHEMBL24825639 0.81 CA5A (0.54) NT5EP2RY1P2RY2GPR17P2RY11

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
EP-2917341-B1 NEW PHOSPHODEOXYRIBOSYLTRANSFERASE MUTANT ENZYMES AND USES THEREOF CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-09-27 — — EP disclosed
WO-2014072487-A1 NEW PHOSPHODEOXYRIBOSYLTRANSFERASE MUTANT ENZYMES AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-05-15 — — WO disclosed
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