SCHEMBL12932272

SCHEMBL12932272

Nc1ncnc2c1nc(Cl)n2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENTPD1 P49961 3/20 0.76
TRPM2 O94759 1/20 0.66
P2RY1 P47900 3/20 0.65
P2RY2 P41231 2/20 0.65
SRC P12931 1/20 0.65
P2RX1 P51575 1/20 0.65
P2RX3 P56373 1/20 0.65
P2RX4 Q99571 1/20 0.65
P2RX2 Q9UBL9 1/20 0.65
ALDH1A1 P00352 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65

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
SCHEMBL1062562 1.00 ENTPD1 (0.76) ENTPD1TRPM2P2RY1P2RY2SRC
SCHEMBL30292631 1.00 ENTPD1 (0.76) ENTPD1TRPM2P2RY1P2RY2SRC
SCHEMBL9752399 0.99 ENTPD1 (0.74) ENTPD1TRPM2P2RY1
SCHEMBL9752397 0.99 ENTPD1 (0.74) ENTPD1TRPM2P2RY1
SCHEMBL9702967 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1P2RY2SRC
SCHEMBL9702452 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1P2RY2SRC
SCHEMBL20277574 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1P2RY2SRC
SCHEMBL20277592 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1P2RY2SRC
SCHEMBL636536 0.91 ENTPD1 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL636535 0.91 ENTPD1 (0.75) ENTPD1TRPM2P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275672-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES, INC. (US) 2017-09-28 US disclosed
US-20170275672-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES, INC. (US) 2017-09-28 US disclosed
US-9631227-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2017-04-25 US disclosed
US-9631227-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2017-04-25 US disclosed
US-20140323354-A1 Chemically Modified Ligase Cofactors, Donors and Acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2014-10-30 US disclosed
US-20140323354-A1 Chemically Modified Ligase Cofactors, Donors and Acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2014-10-30 US disclosed
WO-2014144979-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES, INC. (US) 2014-09-18 WO disclosed
US-8728725-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES (US) 2014-05-20 US disclosed
US-8728725-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES (US) 2014-05-20 US disclosed
US-20110008788-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TriLink Bio Technologies 2011-01-13 US disclosed
US-20110008788-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TriLink Bio Technologies 2011-01-13 US disclosed
WO-2011005762-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES (US) 2011-01-13 WO disclosed