SCHEMBL28328243

SCHEMBL28328243

Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
ALOX5 P09917 5/20 0.67
RORC P51449 1/20 0.62
HDAC1 Q13547 6/20 0.61
HDAC2 Q92769 3/20 0.59
HDAC3 O15379 3/20 0.59
MAPK1 P28482 1/20 0.59
NCOR2 Q9Y618 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL28902445 0.89 HDAC2 (0.69) MEN1KMT2ARORCHDAC1HDAC2
SCHEMBL16684914 0.87 HDAC1 (0.73) MEN1KMT2ARORCHDAC1HDAC2
SCHEMBL8334964 0.85 ALOX5 (0.70) MEN1KMT2AALOX5NPC1ALDH1A1
SCHEMBL7875424 0.84 ALOX5 (0.68) MEN1KMT2AALOX5NPC1ALDH1A1
SCHEMBL6864203 0.82 ALOX5 (0.67) MEN1KMT2AALOX5RORCNPC1
SCHEMBL5486512 0.80 ALOX5 (0.64) MEN1KMT2AALOX5NPC1ALDH1A1
SCHEMBL19174351 0.79 HDAC2 (0.76) MEN1KMT2ARORCHDAC1HDAC2
SCHEMBL10904297 0.78 ALOX5 (1.00) MEN1KMT2AALOX5RORCMAPK1
SCHEMBL1708181 0.78 ALOX5 (0.62) MEN1KMT2AALOX5RORCNPC1
SCHEMBL23888859 0.78 HDAC1 (0.71) HDAC1HDAC2HDAC3MAPK1NCOR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110392725-B Photoalignment composition for stabilizing pretilt angle in liquid crystal layer 罗利克技术有限公司 2023-12-01 CN disclosed
CN-110392725-A Novel smooth orientation composition for pre-tilt angle in stabilizing solution crystal layer 罗利克技术有限公司 2019-10-29 CN disclosed