SCHEMBL9549302

SCHEMBL9549302

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c2=NCN2CCNC=32)[C@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 0.49
FBP1 P09467 2/20 0.49
TAS1R3 Q7RTX0 5/20 0.49
TAS1R1 Q7RTX1 5/20 0.49
GART P22102 1/20 0.48
DNPH1 O43598 2/20 0.48
PRKAB2 O43741 1/20 0.48
TRPM2 O94759 1/20 0.48
LDHA P00338 1/20 0.48
ADRB2 P07550 1/20 0.48
SRC P12931 1/20 0.48
ADORA1 P30542 1/20 0.48
P2RY2 P41231 1/20 0.48
P2RY1 P47900 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL18062492 0.85 MAPT (0.45) SMN1; SMN2
SCHEMBL2919342 0.82 ATIC (0.49) ATICFBP1TAS1R3TAS1R1GART
SCHEMBL6704190 0.79 ATIC (0.57) ATICFBP1TAS1R3TAS1R1GART
SCHEMBL264616 0.79 ATIC (0.52) ATICFBP1TAS1R3TAS1R1GART
SCHEMBL8840654 0.79 ATIC (0.52) ATICFBP1TAS1R3TAS1R1GART
SCHEMBL2449672 0.79 ATIC (0.56) ATICFBP1TAS1R3TAS1R1GART
SCHEMBL8018540 0.78 ATIC (0.48) ATICFBP1TAS1R3TAS1R1GART
SCHEMBL3967635 0.75 ATIC (0.56) ATICFBP1TAS1R3TAS1R1GART
SCHEMBL5721746 0.74 P2RX3 (0.52) SRCP2RY2P2RY1SMN1; SMN2P2RY11
SCHEMBL8028076 0.71 P2RX3 (0.48) SRCP2RY2P2RY1SMN1; SMN2P2RY11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232967-B1 COMPETITIVE HOMOGENEOUS ASSAY AMOCO CORPORATION (US) 1993-04-28 EP claimed