Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7745708

N.N.N.N.Nc1ncnc2c1ncn2[C@H]1CC(OP(O)(O)=S)[C@@H](COP(O)(O)=S)O1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ ENPP1 P22413 4/20 0.54
▸ P2RY1 P47900 2/20 0.54
▸ DNPH1 O43598 1/20 0.52
▸ PRKAB2 O43741 1/20 0.52
▸ TRPM2 O94759 1/20 0.52
▸ LDHA P00338 1/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ FBP1 P09467 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ P2RY2 P41231 1/20 0.52
▸ PRKAG1 P54619 1/20 0.52
▸ PRKAA2 P54646 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ PRKAA1 Q13131 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.52

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
SCHEMBL8173011 0.89 ADORA1 (0.56) POLBENPP1P2RY1ADORA1SMN1; SMN2
SCHEMBL29403419 0.89 ADORA1 (0.56) POLBENPP1P2RY1ADORA1SMN1; SMN2
SCHEMBL20327207 0.88 POLB (0.55) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL20277576 0.87 POLB (0.73) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL20276952 0.87 POLB (0.73) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL24059865 0.87 POLB (0.73) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL30969962 0.87 POLB (0.73) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL6915410 0.87 POLB (0.73) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL20282944 0.87 POLB (0.73) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL22765943 0.87 POLB (0.51) POLBENPP1P2RY1DNPH1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929218-A4 P2Y RECEPTOR ANTAGONISTS UNIV NORTH CAROLINA (US) 2001-05-16 — — EP claimed
EP-0929218-A2 P2Y RECEPTOR ANTAGONISTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-07-21 — — EP claimed
WO-1998018430-A2 P2Y RECEPTOR ANTAGONISTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-05-07 — — WO claimed
EP-0929218-A4 P2Y RECEPTOR ANTAGONISTS UNIV NORTH CAROLINA (US) 2001-05-16 — — EP disclosed
EP-0929218-A2 P2Y RECEPTOR ANTAGONISTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-07-21 — — EP disclosed
WO-1998018430-A2 P2Y RECEPTOR ANTAGONISTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-05-07 — — WO disclosed
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