SCHEMBL9650582

SCHEMBL9650582

O=C(Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](COC(=O)c2ccccc2)O1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.50
LMNA P02545 1/20 0.48
P2RY2 P41231 1/20 0.48
P2RY1 P47900 1/20 0.48
P2RY6 Q15077 1/20 0.48
SLC29A1 Q99808 1/20 0.47
TYMP P19971 1/20 0.47
POLB P06746 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL9651474 1.00 P2RY12 (0.50) P2RY12LMNAP2RY2P2RY1P2RY6
SCHEMBL9650579 1.00 P2RY12 (0.50) P2RY12LMNAP2RY2P2RY1P2RY6
SCHEMBL7896308 0.92 SLC29A1 (0.57) P2RY12LMNAP2RY1SLC29A1
SCHEMBL7519318 0.91 P2RY12 (0.46) P2RY12LMNAP2RY2P2RY1P2RY6
SCHEMBL9850183 0.90 POLB (0.53) P2RY12LMNAP2RY2P2RY1P2RY6
SCHEMBL21620227 0.89 P2RY12 (0.47) P2RY12P2RY2P2RY1P2RY6SLC29A1
SCHEMBL5180459 0.89 P2RY12 (0.46) P2RY12P2RY2P2RY1P2RY6SLC29A1
SCHEMBL264409 0.88 SLC29A1 (0.59) SLC29A1
SCHEMBL22984010 0.88 SLC29A1 (0.59) SLC29A1
SCHEMBL21539907 0.88 SLC29A1 (0.59) SLC29A1

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-0490281-A1 3'- Amino or thiolmodified, fluorescence coupled nucleoside and oligonucleotide, a method for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-17 EP disclosed