SCHEMBL11083457

SCHEMBL11083457

Nc1ccc(Oc2cnc3cc(F)ccc3n2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAP4K4 O95819 2/20 0.40
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ APP P05067 1/20 0.33

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
SCHEMBL11224604 0.80 HTT (0.61) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21186229 0.75 KMT2A (0.59) ALDH1A1MEN1KMT2AL3MBTL1MAP4K4
SCHEMBL11182378 0.70 CYP1A2 (0.46) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4798761 0.70 KDM4E (0.43) HTTALDH1A1MEN1KMT2ASLC6A2
SCHEMBL1148984 0.69 GRM4 (0.50) ALDH1A1MEN1KMT2AL3MBTL1SLC6A2
SCHEMBL1333707 0.69 CA1 (0.52) SLC6A2SLC6A3SLC6A4
SCHEMBL10677656 0.69 HTT (0.61) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4798371 0.69 CYP3A4 (0.40) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11178760 0.69 HTR3A (0.46) HTTALDH1A1MEN1KMT2AMAP4K4
SCHEMBL7899959 0.69 HTT (0.61) HTTALDH1A1MEN1KMT2AL3MBTL1

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
US-4425343-A Benzoazine ether or thioether linkage containing urea compounds, process for producing same and insecticides containing said compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1984-01-10 — — US disclosed
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