SCHEMBL23323402

SCHEMBL23323402

O=[N+]([O-])c1ccc(Oc2cc([N+](=O)[O-])ccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
HSPB1 P04792 4/20 0.51
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
MYOC Q99972 1/20 0.44
PDE7A Q13946 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL28165767 0.89 LOXL2 (0.50) RAB9AHTTLMNAHSPB1MAPT
SCHEMBL3502988 0.80 LMNA (0.60) RAB9AHTTLMNAHSPB1MAPT
SCHEMBL28257557 0.79 KDM4E (0.58) RAB9AHTTLMNAHSPB1MAPT
SCHEMBL3173025 0.78 ALDH1A1 (0.49) RAB9AHTTLMNAHSPB1MAPT
SCHEMBL1891269 0.78 RAB9A (0.50) RAB9AHTTLMNAHSPB1MAPT
SCHEMBL3176280 0.78 RAB9A (0.54) RAB9AHTTLMNAHSPB1MAPT
SCHEMBL4447532 0.77 HTT (0.47) HTTLMNAMAPTMEN1KMT2A
SCHEMBL12050816 0.77 HSPB1 (0.55) RAB9AHTTLMNAHSPB1MAPT
SCHEMBL1894479 0.76 HTT (0.52) RAB9AHTTLMNAHSPB1MAPT
SCHEMBL4936375 0.76 ROCK1 (0.54) RAB9AHTTLMNAHSPB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11286348-B2 Polymer for liquid crystal alignment agent, liquid crystal alignment agent comprising the same, and liquid crystal alignment film and liquid crystal display device using the same LG CHEM, LTD. (KR) 2022-03-29 US disclosed
US-11268028-B2 Liquid crystal alignment agent composition, method of producing liquid crystal alignment film using the same, and liquid crystal alignment film using the same LG CHEM, LTD. (KR) 2022-03-08 US disclosed
US-20210130695-A1 LIQUID CRYSTAL ALIGNMENT AGENT COMPOSITION, METHOD OF PRODUCING LIQUID CRYSTAL ALIGNMENT FILM USING THE SAME, AND LIQUID CRYSTAL ALIGNMENT FILM USING THE SAME LG CHEM, LTD. (KR) 2021-05-06 US disclosed