SCHEMBL7928080

SCHEMBL7928080

NC(=O)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX12 P18054 1/20 0.37
ADRA1A P35348 1/20 0.37
TK1 P04183 3/20 0.37
ADRB1 P08588 1/20 0.37
DNMT1 P26358 1/20 0.37
TK2 O00142 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7921052 0.87 MEN1 (0.40) TK1TK2
SCHEMBL7929690 0.81 LMNA (0.41) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL8625601 0.80 LMNA (0.46) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL9253854 0.66 TK1 (0.66) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL9253844 0.66 TK1 (0.66) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL149648 0.66 ADRB1 (0.50) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2193016 0.66 ADRB1 (0.50) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL5983020 0.66 TK1 (0.69) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL15285228 0.66 TK1 (0.69) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL5983012 0.66 TK1 (0.69) LMNASMN1; SMN2ALOX12ADRA1ATK1

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-6239159-B1 SUBSTRATES FOR POLYMERASE AND TERMINAL TRANSFERASE ENZYMES. CAPABLE OF BASE-PAIRING WITH A NUCLEOTIDE RESIDUE IN A COMPLEMENTARY CHAIN OR BASE STACKING IN THE APPROPRIATE NUCLEIC ACID CHAIN, ADVANTAGE OVER CONVENTIONAL HAPTEN AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2001-05-29 US disclosed