SCHEMBL25817403

SCHEMBL25817403

CC(=O)NCCCCCCN(C)CCN(C)CCNC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MAPK1 P28482 1/20 0.61
HIF1A Q16665 1/20 0.61
PAOX Q6QHF9 4/20 0.52
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.41
NAMPT P43490 1/20 0.41
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
APP P05067 1/20 0.38
TSHR P16473 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
SCHEMBL25817395 0.98 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25837278 0.94 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19426004 0.87 DNM1 (0.50) KDM4EMAPK1HIF1APAOX
SCHEMBL11456594 0.86 KDM4E (0.61) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13407441 0.85 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL16303439 0.82 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL28958163 0.82 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12282948 0.82 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25650255 0.81 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25817398 0.81 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A

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