SCHEMBL24809306

SCHEMBL24809306

CNCCOCCNC(=O)c1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
TSHR P16473 1/20 0.54
ACHE P22303 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.51
CA2 P00918 2/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
ESRRG P62508 1/20 0.50
HDAC3 O15379 3/20 0.49

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
SCHEMBL25921197 0.86 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1SLC22A2SLC22A1
SCHEMBL26661565 0.85 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TSHRBLMPMP22
SCHEMBL23222134 0.85 LMNA (0.61) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL24808224 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2ACA2HDAC3
SCHEMBL14386036 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1SLC22A2SLC22A1
SCHEMBL25719651 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1SLC22A2SLC22A1
SCHEMBL853302 0.83 HPGD (0.66) SMN1; SMN2LMNAALDH1A1SLC22A2SLC22A1
SCHEMBL12893238 0.83 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KMT2ACA2HDAC3
SCHEMBL24385886 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2ACA2ESRRG
SCHEMBL23222193 0.82 SMN1; SMN2 (0.62) SMN1; SMN2LMNAALDH1A1SLC22A2SLC22A1

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
US-20220409773-A1 TRANSPLANTATION DEVICE USING CHEMICALLY CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-12-29 US disclosed
WO-2022270549-A1 NOVEL POLYMER-COATED CROSSLINKED ALGINATE GEL FIBER 持田製薬株式会社 2022-12-29 WO disclosed