SCHEMBL7212402

SCHEMBL7212402

Cc1cn([C@H]2C[C@H](NC(=O)CBr)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK2 O00142 1/20 0.75
LMNA P02545 2/20 0.59
TSHR P16473 2/20 0.59
TK1 P04183 2/20 0.59
ALB P02768 1/20 0.59
PKM P14618 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
CYP2D6 P10635 1/20 0.59
DTYMK P23919 1/20 0.58

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
SCHEMBL7212404 1.00 TK2 (0.75) TK2LMNATSHRTK1ALB
SCHEMBL26661810 0.90 TK2 (0.76) TK2LMNATSHRTK1ALB
SCHEMBL9484973 0.90 TK2 (0.75) TK2LMNATSHRTK1ALB
SCHEMBL9484733 0.89 TK2 (0.74) TK2LMNATSHRTK1ALB
SCHEMBL2056542 0.88 TK2 (0.73) TK2LMNATSHRTK1ALB
SCHEMBL2056538 0.88 TK2 (0.73) TK2LMNATSHRTK1ALB
SCHEMBL9484153 0.88 TK2 (0.79) TK2LMNATSHRTK1ALB
SCHEMBL11600089 0.86 TK2 (0.71) TK2LMNATSHRTK1ALB
SCHEMBL11600096 0.86 TK2 (0.71) TK2LMNATSHRTK1ALB
SCHEMBL24059301 0.85 TK2 (0.68) TK2LMNATSHRTK1ALB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695305-B1 METHOD OF FORMING OLIGONUCLEOTIDES UNIV NORTHWESTERN (US) 2003-08-06 EP disclosed
EP-0695305-A4 METHOD OF FORMING OLIGONUCLEOTIDES UNIV NORTHWESTERN (US) 1996-12-11 EP disclosed
EP-0695305-A1 METHOD OF FORMING OLIGONUCLEOTIDES NORTHWESTERN UNIVERSITY (US) 1996-02-07 EP disclosed
US-5476930-A Non-enzymatic ligation of oligonucleotides NORTHWESTERN UNIVERSITY (US) 1995-12-19 US disclosed
WO-1994024143-A1 METHOD OF FORMING OLIGONUCLEOTIDES NORTHWESTERN UNIVERSITY (US) 1994-10-27 WO disclosed