SCHEMBL18258987

SCHEMBL18258987

Cc1cn([C@H]2CC[C@@H](C)O2)c(=O)n(N=[N+]=[N-])c1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
TK1 P04183 2/20 0.32
ALB P02768 1/20 0.32
PKM P14618 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL3813740 0.84 LMNA (0.41) LMNATSHRTK1ALBPKM
Phosphoric Acid SCHEMBL9086402 0.82 TK1 (0.39) LMNATSHRTK1ALBPKM
SCHEMBL9279551 0.79 TK1 (0.44) LMNATSHRTK1ALBPKM
SCHEMBL7595956 0.76
SCHEMBL8692891 0.75 POLB (0.51) TK1
SCHEMBL1128956 0.75 TK1 (0.48) LMNATSHRTK1ALBPKM
SCHEMBL1128958 0.75 TK1 (0.48) LMNATSHRTK1ALBPKM
SCHEMBL6538817 0.74 POLB (0.36) LMNATSHRTK1ALBPKM
SCHEMBL6757641 0.73 LMNA (0.36) LMNATSHRTK1ALBPKM
SCHEMBL6757643 0.73 LMNA (0.36) LMNATSHRTK1ALBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256133-B1 Bioconjugation of macromolecules SIGMA ALDRICH CO LLC (US) 2016-12-14 EP disclosed
EP-2319854-B1 Bioconjugation Of Macromolecules SIGMA ALDRICH CO LLC (US) 2016-11-30 EP disclosed