SCHEMBL31160186

SCHEMBL31160186

CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)O[C@@H]1CO

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.66
▸ ADORA2A P29274 1/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ NPEPPS P55786 7/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ ANPEP P15144 7/20 0.51
▸ SLC29A1 Q99808 4/20 0.50
▸ STAT6 P42226 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HIF1A Q16665 1/20 0.49

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
SCHEMBL31160178 0.86 LMNA (0.79) LMNAADORA2AADORA2BNPEPPSCYP1A2
SCHEMBL29672354 0.85 LMNA (0.64) LMNAADORA2AADORA2BNPEPPSCYP1A2
SCHEMBL29672348 0.85 LMNA (0.64) LMNAADORA2AADORA2BNPEPPSCYP1A2
SCHEMBL17677178 0.85 LMNA (0.64) LMNAADORA2AADORA2BNPEPPSCYP1A2
SCHEMBL20482906 0.85 LMNA (0.64) LMNAADORA2AADORA2BNPEPPSCYP1A2
SCHEMBL29871247 0.84 ADORA2A (0.54) LMNAADORA2AADORA2BNPEPPSCYP1A2
SCHEMBL26554333 0.84 LMNA (0.59) LMNAADORA2AADORA2BNPEPPSANPEP
SCHEMBL5253091 0.83 LMNA (0.58) LMNAADORA2AADORA2BNPEPPSCYP1A2
SCHEMBL16203604 0.83 LMNA (0.62) LMNAADORA2AADORA2BNPEPPSCYP1A2
SCHEMBL18512597 0.83 LMNA (0.62) LMNAADORA2AADORA2BNPEPPSCYP1A2

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
CN-118813612-A Application of compound in RNAi (ribonucleic acid interference) medicament 纳肽得(青岛)生物医药有限公司 2024-10-22 — — CN disclosed
Send feedback