SCHEMBL29906335

SCHEMBL29906335

Nc1nnc2nnc([N+](=O)[O-])nn12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.39
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.31
MITF O75030 1/20 0.30
ALPL P05186 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
APOBEC3A P31941 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL30803901 0.68 LMNA (0.35) APEX1LMNAPKMMITFALPL
SCHEMBL28566028 0.65 APEX1 (0.32) APEX1PKM
SCHEMBL4406112 0.63 LMNA (0.34) APEX1LMNAMITFALPLPOLB
SCHEMBL7837335 0.63
SCHEMBL7192994 0.61 LMNA (0.45) APEX1LMNAPKMMITFALPL
SCHEMBL29222797 0.60 SMN1; SMN2 (0.56) APEX1LMNAPKMMITFALPL
SCHEMBL4416332 0.59 MITF (0.31) APEX1MITFALPLPOLBMAPT
SCHEMBL4408198 0.58
SCHEMBL4408836 0.58 HTT (0.37) APEX1LMNAMITFALPLPOLB
SCHEMBL2210336 0.58

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-113149910-B Method for realizing automatic high-flux synthesis of heterocyclic ionic salt and device used in method 中国农业大学 2022-10-14 CN claimed