SCHEMBL638702

SCHEMBL638702

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)C(P(=O)(O)O)P(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.80
P2RY2 P41231 3/20 0.80
SRC P12931 2/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
TRPM2 O94759 2/20 0.80
TAS1R3 Q7RTX0 2/20 0.80
TAS1R1 Q7RTX1 2/20 0.80
P2RY11 Q96G91 2/20 0.80
DNPH1 O43598 1/20 0.80
PRKAB2 O43741 1/20 0.80
LDHA P00338 1/20 0.80
ADRB2 P07550 1/20 0.80
FBP1 P09467 1/20 0.80
ADORA1 P30542 1/20 0.80
PRKAG1 P54619 1/20 0.80
PRKAA2 P54646 1/20 0.80
PDE4D Q08499 1/20 0.80
KCNH2 Q12809 1/20 0.80
PRKAA1 Q13131 1/20 0.80
PDE3A Q14432 1/20 0.80

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
SCHEMBL19601215 0.90 P2RY1 (0.80) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL8572634 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL11977309 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL144997 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL20277555 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL19420134 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL1338615 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL132458 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL5055892 0.89 P2RY1 (0.92) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL13170051 0.89 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2TRPM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119364-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-20100304430-A1 Methods for Generating Analogs of Coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-7727738-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-01 US disclosed
US-20070128683-A1 Metabolic delivery of coenzyme A analogs NATIONAL SCIENCE FOUNDATION 2007-06-07 US disclosed