SCHEMBL4429070

SCHEMBL4429070

NCC#Cc1ccc(CCOCc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.49
TK2 O00142 1/20 0.49
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TYMS P04818 1/20 0.42
ALOX12 P18054 1/20 0.42
ADRA1A P35348 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL888194 0.89 TK1 (0.46) TK1TK2LMNASMN1; SMN2TYMS
SCHEMBL888079 0.88 TYMS (0.47) TYMS
SCHEMBL4563254 0.86 TK1 (0.54) TK1TK2LMNASMN1; SMN2TYMS
SCHEMBL888044 0.86 TK1 (0.54) TK1TK2LMNASMN1; SMN2TYMS
SCHEMBL888051 0.85 TK1 (0.57) TK1TK2LMNASMN1; SMN2TYMS
SCHEMBL888040 0.83 TK1 (0.46) TK1TK2LMNASMN1; SMN2TYMS
SCHEMBL888039 0.83 TK1 (0.46) TK1TK2LMNASMN1; SMN2TYMS
SCHEMBL12762678 0.83 TK1 (0.46) TK1TK2LMNASMN1; SMN2TYMS
SCHEMBL12570193 0.83 TK1 (0.46) TK1TK2LMNASMN1; SMN2TYMS
SCHEMBL888169 0.82 TYMS (0.48) TYMS

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-2125856-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2009-12-02 EP disclosed
WO-2008070749-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2008-06-12 WO disclosed