SCHEMBL30467446

SCHEMBL30467446

CCOC(=O)/C(C)=C/c1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.43
BACE1 P56817 1/20 0.42
GLO1 Q04760 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL16906143 1.00 MAPT (0.58) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL17049220 0.89 MAPT (0.66) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL12992273 0.85 GLO1 (0.52) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL7875955 0.84 TDP1 (0.46) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL3591100 0.83 KMT2A (0.53) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL3591104 0.83 KMT2A (0.53) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL706410 0.83 ALDH1A1 (0.50) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL706411 0.83 ALDH1A1 (0.50) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7882366 0.82 ALDH1A1 (0.71) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL7882365 0.82 ALDH1A1 (0.71) MAPTLMNAALDH1A1KDM4ETDP1

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-110914234-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-06-23 CN disclosed