SCHEMBL11052655

SCHEMBL11052655

C=C(Cl)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.70
LMNA P02545 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
ALOX12 P18054 1/20 0.66
ADRA1A P35348 1/20 0.66
TK2 O00142 1/20 0.65
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL5982682 1.00 TK1 (0.70) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL10400312 1.00 TK1 (0.70) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL9465344 0.91 TK1 (0.67) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL10401030 0.91 TK1 (0.71) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5982483 0.91 LMNA (0.71) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5983818 0.91 TK1 (0.67) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL1172396 0.91 TK1 (0.67) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL4115443 0.91 LMNA (0.71) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5982148 0.91 TK1 (0.67) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5983146 0.91 TK1 (0.71) TK1LMNASMN1; SMN2ALOX12ADRA1A

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-4424211-A VIRICIDES REGA INSTITUUT VZW (BE) 1984-01-03 US disclosed