SCHEMBL6295358

SCHEMBL6295358

O=c1[nH]c(=O)n([C@@H]2CC(O)[C@H](CO)O2)cc1-c1cn(Cc2ccccc2)nn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.56
TK1 P04183 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
NPSR1 Q6W5P4 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
SCHEMBL6295354 1.00 TYMS (0.56) TYMSTK1LMNASMN1; SMN2CYP1A2
SCHEMBL6300082 0.91 TK1 (0.53) TYMSTK1LMNASMN1; SMN2
SCHEMBL6294281 0.91 TYMS (0.58) TYMSTK1LMNASMN1; SMN2
SCHEMBL6294280 0.91 TYMS (0.58) TYMSTK1LMNASMN1; SMN2
SCHEMBL6294257 0.91 TK1 (0.53) TYMSTK1LMNASMN1; SMN2
SCHEMBL6300338 0.90 TYMS (0.51) TYMSTK1LMNASMN1; SMN2
SCHEMBL6300334 0.90 TYMS (0.51) TYMSTK1LMNASMN1; SMN2
SCHEMBL6300119 0.90 TK1 (0.58) TYMSTK1LMNASMN1; SMN2
SCHEMBL6294780 0.89 TK1 (0.55) TYMSTK1LMNASMN1; SMN2
SCHEMBL6294252 0.89 TK1 (0.55) TYMSTK1LMNASMN1; SMN2

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
US-6884882-B1 2′-deoxyuridine derivatives and hydrogels formed therewith POSTECH FOUNDATION (KR) 2005-04-26 US disclosed