SCHEMBL20282954

SCHEMBL20282954

CCCOC1C(O)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 1/20 0.76
▸ PRKAB2 O43741 1/20 0.76
▸ TRPM2 O94759 1/20 0.76
▸ LDHA P00338 1/20 0.76
▸ ADRB2 P07550 1/20 0.76
▸ FBP1 P09467 1/20 0.76
▸ SRC P12931 1/20 0.76
▸ ADORA1 P30542 1/20 0.76
▸ P2RY2 P41231 1/20 0.76
▸ P2RY1 P47900 1/20 0.76
▸ PRKAG1 P54619 1/20 0.76
▸ PRKAA2 P54646 1/20 0.76
▸ PDE4D Q08499 1/20 0.76
▸ KCNH2 Q12809 1/20 0.76
▸ PRKAA1 Q13131 1/20 0.76
▸ PDE3A Q14432 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ TAS1R3 Q7RTX0 1/20 0.76
▸ TAS1R1 Q7RTX1 1/20 0.76
▸ P2RY11 Q96G91 1/20 0.76

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
SCHEMBL20282955 0.95 DNPH1 (0.73) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL20673286 0.94 DNPH1 (0.72) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL26067730 0.93 DNPH1 (0.76) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL7690390 0.93 DNPH1 (0.76) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL24059948 0.93 P2RY1 (0.76) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL599965 0.90 P2RY1 (0.80) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL25390508 0.90 P2RY1 (0.80) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL2483380 0.90 P2RY1 (0.80) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL29438526 0.90 P2RY1 (0.80) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL1122523 0.89 RNASEL (0.84) DNPH1PRKAB2TRPM2LDHAADRB2

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
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 — — US disclosed
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