SCHEMBL4728022

SCHEMBL4728022

O=C(c1ccccc1)n1c(=O)c(I)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.53
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRB1 P08588 1/20 0.40
DNMT1 P26358 1/20 0.40
TK2 O00142 1/20 0.40
RNASE1 P07998 1/20 0.39

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
SCHEMBL9470943 0.88 LMNA (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9470932 0.88 LMNA (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL21563855 0.88 RNASE1 (0.48) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9443821 0.88 RNASE1 (0.48) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL537189 0.88 RNASE1 (0.48) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL779334 0.87 TK1 (0.42) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2922542 0.87 TK1 (0.42) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205602 0.86 TK1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205610 0.86 TK1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL6901491 0.86 TK1 (0.43) TK1CYP1A2CYP3A4TSHRBLM

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
WO-2008037568-A2 REVERSIBLE TERMINATORS FOR EFFICIENT SEQUENCING BY SYNTHESIS QUIATECH AB (SE) 2008-04-03 WO disclosed