SCHEMBL7648504

SCHEMBL7648504

Nc1ncnc2c1nc(Br)n2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.64
▸ POLB P06746 1/20 0.58
▸ ENTPD1 P49961 3/20 0.55
▸ ENPP1 P22413 1/20 0.53
▸ P2RY1 P47900 1/20 0.53
▸ P2RX1 P51575 1/20 0.52
▸ P2RX3 P56373 1/20 0.52
▸ P2RX2 Q9UBL9 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
SCHEMBL16208893 0.92 POLB (0.57) TRPM2POLBENTPD1ENPP1P2RY1
SCHEMBL16208897 0.92 POLB (0.57) TRPM2POLBENTPD1ENPP1P2RY1
SCHEMBL7644549 0.90 TRPM2 (0.65) TRPM2POLBENTPD1ENPP1P2RY1
SCHEMBL12932270 0.90 TRPM2 (0.64) TRPM2POLBENTPD1ENPP1P2RY1
SCHEMBL1063721 0.90 TRPM2 (0.64) TRPM2POLBENTPD1ENPP1P2RY1
SCHEMBL30134675 0.90 TRPM2 (0.64) TRPM2POLBENTPD1ENPP1P2RY1
SCHEMBL2232893 0.86 TRPM2 (0.61) TRPM2POLBENTPD1ENPP1P2RY1
SCHEMBL15704019 0.86 TRPM2 (0.60) TRPM2POLBENTPD1ENPP1P2RY1
SCHEMBL1509270 0.86 TRPM2 (0.60) TRPM2POLBENTPD1ENPP1P2RY1
SCHEMBL15715797 0.86 TRPM2 (0.60) TRPM2POLBENTPD1ENPP1P2RY1

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 4 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
WO-2002004686-A2 DETECTING METHYLATED CYTOSINE IN POLYNUCLEOTIDES EPIGENX PHARMACEUTICAL, INC. (US) 2002-01-17 — — WO 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
WO-2002004686-A2 DETECTING METHYLATED CYTOSINE IN POLYNUCLEOTIDES EPIGENX PHARMACEUTICAL, INC. (US) 2002-01-17 — — WO disclosed
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