SCHEMBL24841247

SCHEMBL24841247

NC(=O)c1cn(CCNCCO)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADA P00813 5/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.36
▸ CPB2 Q96IY4 4/20 0.36
▸ KDM5A P29375 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ TERT O14746 1/20 0.33
▸ CPB1 P15086 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ ADCY1 Q08828 1/20 0.31

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
SCHEMBL24841249 0.84 SMYD3 (0.39) SMYD3CPB2KDM5AKDM5BTERT
SCHEMBL24842010 0.78 ADA (0.40) ADASMYD3CPB2GRM2CPB1
SCHEMBL24842794 0.78 ADA (0.40) ADASMYD3CPB2GRM2CPB1
SCHEMBL28309917 0.77 ADA (0.46) ADASMYD3GRM2USP30
SCHEMBL24841213 0.76 ADA (0.39) ADASMYD3CPB2GRM2CPB1
SCHEMBL6335386 0.76 KDM5A (0.46) ADASMYD3CPB2KDM5AKDM5B
SCHEMBL27781554 0.73 CPB2 (0.47) ADASMYD3CPB2KDM5AKDM5B
SCHEMBL5521044 0.72 CPB2 (0.42) ADASMYD3CPB2CPB1
Hydrochloric Acid SCHEMBL28773709 0.72 ADA (0.38) ADASMYD3CPB2GRM2CPB1
SCHEMBL6335415 0.72 SMYD3 (0.52) ADASMYD3CPB2GRM2CPB1

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-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO disclosed
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