SCHEMBL30431925

SCHEMBL30431925

NCCOc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.51
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PABPC1 P11940 2/20 0.46
GABRA5 P31644 1/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
CYP2C19 P33261 1/20 0.41
SLC2A1 P11166 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL29024512 1.00 HSPB1 (0.51) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL30980526 0.91 HSPB1 (0.47) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL16943515 0.87 HSPB1 (0.55) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL17672793 0.83 HSPB1 (0.51) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL55612 0.83 HSPB1 (0.51) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL14549594 0.82 HSPB1 (0.50) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL5004367 0.82 KMT2A (0.51) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL4271251 0.82 HSPB1 (0.50) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL3333575 0.82 MAPT (0.58) HSPB1GAAL3MBTL1MAPTNPSR1
SCHEMBL31636995 0.81 HSPB1 (0.49) HSPB1GAAL3MBTL1MAPTNPSR1

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-108929705-B Liquid crystal aligning agent, liquid crystal alignment film, method for producing same, liquid crystal element, polymer, and diamine JSR株式会社 2023-05-30 CN disclosed