SCHEMBL441647

SCHEMBL441647

N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.65
DNPH1 O43598 8/20 0.63
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
P2RY2 P41231 2/20 0.59
P2RY1 P47900 2/20 0.59
TRPM2 O94759 2/20 0.59
PRKAB2 O43741 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59
FBP1 P09467 1/20 0.59
SRC P12931 1/20 0.59
ADORA1 P30542 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PDE4D Q08499 1/20 0.59
KCNH2 Q12809 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PDE3A Q14432 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL4125974 0.93 P2RY12 (0.72) P2RY12DNPH1TAS1R3TAS1R1P2RY2
SCHEMBL5545796 0.88 P2RY12 (0.69) P2RY12DNPH1TAS1R3TAS1R1P2RY2
SCHEMBL855679 0.88 SLC29A1 (0.61) ADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL3193571 0.87 P2RY12 (0.68) P2RY12DNPH1TAS1R3TAS1R1P2RY2
SCHEMBL1933421 0.87 P2RY12 (0.67) P2RY12DNPH1TAS1R3TAS1R1P2RY2
SCHEMBL4997219 0.87 P2RY12 (0.69) P2RY12DNPH1TAS1R3TAS1R1P2RY2
Adenosine Phosphate SCHEMBL15670947 0.86 P2RY1 (0.73) DNPH1TAS1R3TAS1R1P2RY2P2RY1
SCHEMBL2990779 0.86 P2RY12 (0.66) P2RY12DNPH1TAS1R3TAS1R1P2RY2
SCHEMBL8916648 0.86 P2RY12 (0.70) P2RY12DNPH1TAS1R3TAS1R1P2RY2
SCHEMBL3898255 0.85 P2RY12 (0.65) P2RY12DNPH1TAS1R3TAS1R1P2RY2

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-10781437-B2 D-stereospecific aminoacyl-tRNA synthetase and method of producing D-stereospecific aminoacyl-tRNA synthetase BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2020-09-22 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 WO disclosed
US-9943577-B2 Aminoacyl tRNA synthetases for modulating inflammation ATYR PHARMA, INC. (US) 2018-04-17 US disclosed
US-6617114-B1 Screening for ligand which inhibits the binding of a target protein to a binding partner ligand; steroid receptors; peptides of given sequence KARO BIO AB (SE) 2003-09-09 US disclosed
EP-1274834-A1 HUMAN AMINOACYL-tRNA SYNTHETASE POLYPEPTIDES USEFUL FOR THE REGULATION OF ANGIOGENESIS The Scripps Research Institute (US) 2003-01-15 EP disclosed
EP-1272506-A1 HUMAN AMINOACYL-TRNA SYNTHETASE POLYPEPTIDES USEFUL FOR THE REGULATION OF ANGIOGENESIS The Scripps Research Institute (US) 2003-01-08 EP disclosed
WO-2001075078-A1 HUMAN AMINOACYL-tRNA SYNTHETASE POLYPEPTIDES USEFUL FOR THE REGULATION OF ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2001-10-11 WO disclosed
WO-2001074841-A1 HUMAN AMINOACYL-TRNA SYNTHETASE POLYPEPTIDES USEFUL FOR THE REGULATION OF ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2001-10-11 WO disclosed
EP-0937253-A1 IDENTIFICATION OF DRUGS USING COMPLEMENTARY COMBINATORIAL LIBRARIES Novalon Pharmaceutical Corporation (US) 1999-08-25 EP disclosed
US-5912140-A ISOLATED NUCLEIC ACID WHICH CODES A FUNCTIONAL PORTION OF A LYSYL-TRNA SYNTHETASE; HAVING CATALYTIC ACITIVITY AND BINDING FUNCTION; DRUG SCREENING FOR AIDS THERAPY CUBIST PHARMACEUTICALS, INC. (US) 1999-06-15 US disclosed
US-5871987-A Candida tyrosyl-tRNA synthetase proteins, nucleic acids and strains comprising same CUBIST PHARMACEUTICALS, INC. (US) 1999-02-16 US disclosed
WO-1998019162-A9 IDENTIFICATION OF DRUGS USING COMPLEMENTARY COMBINATORIAL LIBRARIES 1998-07-09 WO disclosed
WO-1998019162-A1 IDENTIFICATION OF DRUGS USING COMPLEMENTARY COMBINATORIAL LIBRARIES NOVALON PHARMACEUTICAL CORPORATION (US) 1998-05-07 WO disclosed