SCHEMBL29199065

SCHEMBL29199065

CC(Cl)Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
PABPC1 P11940 2/20 0.48
MAPT P10636 7/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GABRA5 P31644 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
HSP90AA1 P07900 1/20 0.40
CXCR5 P32302 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
SCHEMBL306639 0.87 HSPB1 (0.53) HSPB1KMT2AMEN1PABPC1MAPT
SCHEMBL11590 0.80 MAPT (0.52) HSPB1KMT2AMEN1PABPC1MAPT
SCHEMBL745282 0.80 MAPT (0.52) HSPB1KMT2AMEN1PABPC1MAPT
SCHEMBL29974305 0.80 HSPB1 (0.56) HSPB1KMT2AMEN1PABPC1MAPT
SCHEMBL558792 0.80 HSPB1 (0.56) HSPB1KMT2AMEN1PABPC1MAPT
SCHEMBL29151275 0.80 MAPT (0.44) HSPB1KMT2AMEN1PABPC1MAPT
SCHEMBL1851173 0.78 KMT2A (0.70) HSPB1KMT2AMEN1PABPC1MAPT
SCHEMBL30850667 0.78 KMT2A (0.70) HSPB1KMT2AMEN1PABPC1MAPT
SCHEMBL5799 0.77 HSPB1 (0.54) HSPB1KMT2AMEN1PABPC1MAPT
SCHEMBL27449389 0.77 HSPB1 (0.70) HSPB1KMT2AMEN1PABPC1MAPT

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-117925256-A Liquid crystal alignment agent, method for producing same, liquid crystal alignment film, and liquid crystal display element 奇美实业股份有限公司 2024-04-26 CN disclosed