SCHEMBL28675385

SCHEMBL28675385

CC(C)Oc1nn(C)c(N)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.56
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
RECQL P46063 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
SCHEMBL28693875 0.81 PKM (0.61) PKMKMT2ALMNAMAPTMEN1
SCHEMBL4501948 0.72 PKM (1.00) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL7113070 0.68 PKM (0.61) PKMKMT2ALMNAMAPTMEN1
SCHEMBL1075833 0.68 PKM (0.61) PKMKMT2ALMNAMAPTMEN1
SCHEMBL24792528 0.67 ALDH1A1 (0.41) PKMKMT2ALMNAMAPTMEN1
SCHEMBL29005865 0.64 KMT2A (0.36) PKMKMT2AMAPTMEN1ALDH1A1
SCHEMBL28295919 0.64 PKM (0.50) PKMKMT2ALMNAMAPTMEN1
SCHEMBL13626243 0.62 PKM (0.41) PKMKMT2ALMNAMAPTMEN1
SCHEMBL8144751 0.61 PKM (0.56) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL23248487 0.60 PKM (0.42) PKMMAPTALDH1A1KDM4ETDP1

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-113912542-A Method for directly ammoniating nitro nitrogen heterocyclic compound 南京理工大学 2022-01-11 CN disclosed