SCHEMBL4359472

SCHEMBL4359472

NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 1.00
FBP1 P09467 2/20 1.00
KDM4E B2RXH2 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
TP53 P04637 1/20 0.69
MAPT P10636 1/20 0.69
TAS1R3 Q7RTX0 3/20 0.61
TAS1R1 Q7RTX1 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LDHA P00338 2/20 0.61
P2RY1 P47900 2/20 0.61
DNPH1 O43598 1/20 0.61
PRKAB2 O43741 1/20 0.61
TRPM2 O94759 1/20 0.61
ADRB2 P07550 1/20 0.61
SRC P12931 1/20 0.61
ADORA1 P30542 1/20 0.61
P2RY2 P41231 1/20 0.61
PRKAG1 P54619 1/20 0.61
PRKAA2 P54646 1/20 0.61

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
SCHEMBL1230585 1.00 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL1230589 1.00 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL849848 1.00 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL20276955 1.00 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL20134003 1.00 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL15520399 1.00 ATIC (1.00) ATICFBP1KDM4ETDP1TP53
SCHEMBL20277605 0.91 ATIC (0.84) ATICFBP1KDM4ETDP1TP53
SCHEMBL24024836 0.91 ATIC (0.84) ATICFBP1KDM4ETDP1TP53
SCHEMBL4359558 0.91 ATIC (0.84) ATICFBP1KDM4ETDP1TP53
SCHEMBL850149 0.91 ATIC (0.84) ATICFBP1KDM4ETDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539222-B2 Methods to inhibit intracellular growth of bacteria and to treat bacteria-mediated diseases AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-10 US claimed
US-20150209308-A1 METHODS TO INHIBIT INTRACELLULAR GROWTH OF BACTERIA AND TO TREAT BACTERIA-MEDIATED DISEASES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2015-07-30 US claimed
US-9539222-B2 Methods to inhibit intracellular growth of bacteria and to treat bacteria-mediated diseases AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-10 US disclosed
US-20150209308-A1 METHODS TO INHIBIT INTRACELLULAR GROWTH OF BACTERIA AND TO TREAT BACTERIA-MEDIATED DISEASES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2015-07-30 US disclosed
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 US disclosed