SCHEMBL6891984

SCHEMBL6891984

Cc1cn([C@@H]2O[C@H](COC(=O)OCC(C)c3ccccc3[N+](=O)[O-])C(O)C2O)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 1/20 0.38
TK2 O00142 2/20 0.38
P2RY2 P41231 2/20 0.37
P2RY6 Q15077 4/20 0.37
P2RY14 Q15391 2/20 0.37
NT5E P21589 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6891122 0.92 P2RY6 (0.38) DNPH1P2RY2P2RY6P2RY14NT5E
SCHEMBL7645972 0.92 P2RY2 (0.39) DNPH1TK2P2RY2P2RY6P2RY14
SCHEMBL7647603 0.91 TK2 (0.38) DNPH1TK2P2RY2P2RY6
SCHEMBL7051060 0.90 TERT (0.40) DNPH1TK2P2RY2P2RY6P2RY14
SCHEMBL7052187 0.89 PYGM (0.38) DNPH1TK2P2RY2P2RY6P2RY14
SCHEMBL7053416 0.89 PYGM (0.38) DNPH1TK2P2RY2P2RY6P2RY14
SCHEMBL6891021 0.89 P2RY6 (0.38) DNPH1TK2P2RY2P2RY6P2RY14
SCHEMBL6892659 0.89 PYGM (0.38) DNPH1TK2P2RY2P2RY6P2RY14
SCHEMBL7048252 0.89 P2RY6 (0.38) DNPH1TK2P2RY2P2RY6P2RY14
SCHEMBL7644575 0.87 TK2 (0.45) TK2P2RY2

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
EP-1159064-B1 METHOD FOR PHOTOLYTICALLY DEPROTECTING IMMOBILIZED NUCLEOSIDE DERIVATIVES, ESPECIALLY IN THE PRODUCTION OF DNA CHIPS NIGU CHEMIE GMBH (DE) 2004-04-28 EP disclosed
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed