SCHEMBL29139536

SCHEMBL29139536

O=[N+]([O-])c1cc(Cl)ccc1N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.75
MAPK1 P28482 5/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
MAPT P10636 9/20 0.65
TDP1 Q9NUW8 2/20 0.65
LMNA P02545 7/20 0.63
GAA P10253 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
POLB P06746 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CTSB P07858 1/20 0.57
HPGD P15428 2/20 0.56

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
SCHEMBL3546064 0.88 LMNA (0.75) ALDH1A1MAPK1L3MBTL1MAPTTDP1
SCHEMBL23486528 0.86 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1MAPTLMNA
SCHEMBL3485682 0.84 MAPK1 (1.00) ALDH1A1MAPK1L3MBTL1MAPTTDP1
SCHEMBL2711990 0.83 MAPT (0.77) ALDH1A1MAPK1L3MBTL1MAPTTDP1
SCHEMBL7800482 0.83 GAA (0.72) ALDH1A1MAPK1L3MBTL1MAPTTDP1
SCHEMBL23536501 0.82 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1MAPTTDP1
SCHEMBL29931934 0.82 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1MAPTTDP1
SCHEMBL690222 0.82 MAPT (0.63) ALDH1A1MAPK1L3MBTL1MAPTTDP1
SCHEMBL259406 0.82 MAPT (0.69) ALDH1A1MAPK1L3MBTL1MAPTTDP1
SCHEMBL2712983 0.82 MAPT (0.63) ALDH1A1MAPK1L3MBTL1MAPTTDP1

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-116891484-A Condensed ring compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-10-17 CN disclosed