SCHEMBL31229591

SCHEMBL31229591

N#CC(OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CA14 Q9ULX7 2/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL28742160 0.81 TDP1 (0.45) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13136714 0.81 VDR (0.41) KMT2ACA12CA2CA9ALDH1A1
SCHEMBL9237703 0.81 KMT2A (0.48) KMT2ACA12CA2CA9LMNA
SCHEMBL27854888 0.80 KMT2A (0.47) KMT2ACA2ALDH1A1MEN1CA1
SCHEMBL9098070 0.78 KMT2A (0.49) KMT2ACA12CA2CA9LMNA
SCHEMBL28742162 0.75 TDP1 (0.49) KMT2AALDH1A1MEN1MAPTHSD11B1
SCHEMBL8965070 0.74 CES1 (0.49) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL31229339 0.73 ALDH1A1 (0.47) CA2LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL23297979 0.73 KMT2A (0.47) KMT2ACA12CA2CA9LMNA
SCHEMBL23298064 0.73 KMT2A (0.47) KMT2ACA12CA2CA9LMNA

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-111338181-B Photosensitive resin composition, photosensitive dry film and pattern forming method 信越化学工业株式会社 2024-11-26 CN disclosed