SCHEMBL25817408

SCHEMBL25817408

CC(=O)NCCOCCOCCN(C)CCOCCNC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ACHE P22303 5/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 1/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL25816846 1.00 MEN1 (0.44) MEN1KMT2ASMN1; SMN2ACHEMAPK1
SCHEMBL25816562 0.98 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2ACHEMAPK1
SCHEMBL25816847 0.96 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2ACHEMAPK1
SCHEMBL25817411 0.94 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2ACHEMAPK1
SCHEMBL25816564 0.93 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2ACHEMAPK1
SCHEMBL25817406 0.92 KDM4E (0.47) MEN1KMT2ASMN1; SMN2ACHEMAPK1
SCHEMBL25817389 0.90 KDM4E (0.48) MEN1KMT2ASMN1; SMN2ACHEMAPK1
SCHEMBL25817398 0.88 KDM4E (0.52) SMN1; SMN2ACHEMAPK1KDM4EHIF1A
SCHEMBL19309079 0.85 MEN1 (0.56) MEN1KMT2ASMN1; SMN2MAPK1KDM4E
SCHEMBL5155263 0.85 MEN1 (0.56) MEN1KMT2ASMN1; SMN2MAPK1KDM4E

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