SCHEMBL25816562

SCHEMBL25816562

CC(=O)NCCOCCN(C)CCOCCNC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 5/20 0.41
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL25816846 0.98 MEN1 (0.44) SMN1; SMN2MAPK1KDM4EHIF1AMEN1
SCHEMBL25817408 0.98 MEN1 (0.44) SMN1; SMN2MAPK1KDM4EHIF1AMEN1
SCHEMBL25816847 0.98 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1KDM4EHIF1AMEN1
SCHEMBL25817411 0.96 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1KDM4EHIF1AMEN1
SCHEMBL25816564 0.94 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1KDM4EHIF1AMEN1
SCHEMBL25817389 0.91 KDM4E (0.48) SMN1; SMN2MAPK1KDM4EHIF1AMEN1
SCHEMBL25817398 0.90 KDM4E (0.52) SMN1; SMN2MAPK1KDM4EHIF1AACHE
SCHEMBL25817406 0.90 KDM4E (0.47) SMN1; SMN2MAPK1KDM4EHIF1AMEN1
SCHEMBL5157716 0.85 MAPK1 (0.55) SMN1; SMN2MAPK1KDM4EHIF1AMEN1
SCHEMBL19309079 0.83 MEN1 (0.56) SMN1; SMN2MAPK1KDM4EHIF1AMEN1

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-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed