SCHEMBL6892659

SCHEMBL6892659

Cc1cn([C@@H]2O[C@H](COC(=O)OCC(C)c3ccc(Br)cc3[N+](=O)[O-])C(O)C2O)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.38
P2RY6 Q15077 5/20 0.37
DNPH1 O43598 1/20 0.36
TK2 O00142 2/20 0.36
P2RY2 P41231 2/20 0.36
TERT O14746 1/20 0.35
P2RY4 P51582 1/20 0.35
P2RY14 Q15391 2/20 0.35
NT5E P21589 1/20 0.35

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
SCHEMBL7053416 0.94 PYGM (0.38) PYGMP2RY6DNPH1TK2P2RY2
SCHEMBL6891021 0.91 P2RY6 (0.38) PYGMP2RY6DNPH1TK2P2RY2
SCHEMBL6891984 0.89 DNPH1 (0.38) P2RY6DNPH1TK2P2RY2P2RY14
SCHEMBL7051060 0.87 TERT (0.40) P2RY6DNPH1TK2P2RY2TERT
SCHEMBL7263516 0.87 POLB (0.45)
SCHEMBL6892652 0.87 POLB (0.45)
SCHEMBL13666503 0.87 POLB (0.45)
SCHEMBL7052187 0.87 PYGM (0.38) PYGMP2RY6DNPH1TK2P2RY2
SCHEMBL7048252 0.87 P2RY6 (0.38) PYGMP2RY6DNPH1TK2P2RY2
SCHEMBL7048230 0.82 TK2 (0.42) PYGMTK2

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 3 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-1159064-A1 METHOD FOR PHOTOLYTICALLY DEPROTECTING IMMOBILIZED NUCLEOSIDE DERIVATIVES, ESPECIALLY IN THE PRODUCTION OF DNA CHIPS NIGU CHEMIE GMBH (DE) 2001-12-05 EP disclosed
WO-2000053309-A1 METHOD FOR PHOTOLYTICALLY DEPROTECTING IMMOBILIZED NUCLEOSIDE DERIVATIVES, ESPECIALLY IN THE PRODUCTION OF DNA CHIPS NIGU CHEMIE GMBH (DE) 2000-09-14 WO disclosed