SCHEMBL9702818

SCHEMBL9702818

CC(C)(C)C(=O)On1c(Br)c(Br)c(C#N)c1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.37
GRIA2 P42262 1/20 0.37
ELANE P08246 1/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
POLB P06746 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL9019106 0.79 MAOB (0.41) GRIA4GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL9019103 0.74 MEN1 (0.33) GRIA4GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL9019044 0.72 MAOA (0.38) GRIA4GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL9212060 0.71 ALDH1A1 (0.36) GRIA4GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL9019009 0.70 MAOB (0.45) GRIA4GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL9423599 0.68 KDM4E (0.38) GRIA4GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL9218224 0.67 MEN1 (0.37) GRIA4GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL9519227 0.67 GRIA2 (0.42) GRIA4GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL9019084 0.66 MAOB (0.44) GRIA4GRIA2ALDH1A1KDM4EKMT2A
SCHEMBL7504298 0.66 GRIA2 (0.35) GRIA4GRIA2ALDH1A1KDM4EKMT2A

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-5102904-A N-OXYGENATED ARYLPYRROLE INSECTICIDAL, ACARICIDAL AND NEMATICIDAL AGENTS AND USE THEREAS AMERICAN CYANAMID COMPANY (US) 1992-04-07 US claimed