SCHEMBL15793736

SCHEMBL15793736

Nc1nc(Br)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.62
▸ POLB P06746 2/20 0.61
▸ ENPP1 P22413 4/20 0.56
▸ P2RY1 P47900 4/20 0.56
▸ P2RY6 Q15077 2/20 0.56
▸ P2RX1 P51575 2/20 0.56
▸ P2RX3 P56373 2/20 0.56
▸ P2RY11 Q96G91 1/20 0.56
▸ P2RX4 Q99571 1/20 0.56
▸ P2RY12 Q9H244 1/20 0.55
▸ P2RY2 P41231 1/20 0.54
▸ P2RY4 P51582 1/20 0.54
▸ RNASEL Q05823 1/20 0.53
▸ P2RX2 Q9UBL9 1/20 0.53
▸ GPR17 Q13304 2/20 0.52
▸ DTYMK P23919 2/20 0.52
▸ PNP P00491 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HTT P42858 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
SCHEMBL17117823 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL29642033 0.91 NT5E (0.64) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL12932286 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL4820794 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL345288 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL29400356 0.91 NT5E (0.67) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL15573313 0.91 NT5E (0.64) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL15794369 0.89 NT5E (0.62) NT5EPOLBENPP1P2RY1P2RY6
SCHEMBL21056508 0.89 NT5E (0.62) NT5EPOLBENPP1P2RY1P2RY6
2-Chlorodeoxyadenosine Triphosphate SCHEMBL1064481 0.89 NT5E (0.78) NT5EPOLBENPP1P2RY1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140170689-A1 Modified Diguanylate Cyclase-Phosphodiesterase and Method for Enzymatic Production of Cyclic-diGMP THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-06-19 — — US claimed
US-20140170689-A1 Modified Diguanylate Cyclase-Phosphodiesterase and Method for Enzymatic Production of Cyclic-diGMP THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-06-19 — — US disclosed
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