SCHEMBL25650255

SCHEMBL25650255

CC(=O)NCCCCN(C)CCCCN(CCCNC(C)=O)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
PAOX Q6QHF9 4/20 0.44
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
CA14 Q9ULX7 1/20 0.36
NAMPT P43490 1/20 0.36
TSHR P16473 1/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL6898519 0.93 HIF1A (0.60) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL6901465 0.91 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12244766 0.89 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25837278 0.87 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL11456594 0.87 KDM4E (0.61) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13824881 0.85 KDM4E (0.54) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25817395 0.83 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL20261071 0.82 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19726708 0.82 PAOX (0.63) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25817403 0.81 KDM4E (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328310-A1 SIRNA TARGETING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 AND SIRNA CONJUGATE Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2024-02-28 EP disclosed
EP-4194553-A1 MODIFIED SIRNA WITH REDUCED OFF-TARGET ACTIVITY Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-14 EP disclosed