SCHEMBL8820599

SCHEMBL8820599

COc1cc(Cl)cc(C(Cl)C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
AHR P35869 1/20 0.33
SHMT1 P34896 1/20 0.32
RAPGEF3 O95398 1/20 0.31
KDM4E B2RXH2 2/20 0.30
SQOR Q9Y6N5 1/20 0.30

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
SCHEMBL4716539 0.89 ALDH1A1 (0.46) ALDH1A1GAALMNA
SCHEMBL8747263 0.75 AOC3 (0.44) ALDH1A1KMT2A
SCHEMBL2737289 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AAHR
SCHEMBL4611220 0.73 ALDH1A1 (0.53) ALDH1A1GAALMNAMAPTKDM4E
SCHEMBL5164355 0.73 ALDH1A1 (0.40) ALDH1A1AHR
SCHEMBL27860515 0.72 ALDH1A1 (0.39) ALDH1A1GAALMNAKMT2AAHR
SCHEMBL5281972 0.72 ADRB2 (0.43) ALDH1A1LMNAAHR
SCHEMBL21849217 0.72 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AAHR
SCHEMBL27413717 0.72 ADRB2 (0.43) ALDH1A1LMNAAHR
SCHEMBL16960778 0.72 ALDH1A1 (0.39) ALDH1A1GAALMNAKMT2AAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997047607-A1 HERBICIDAL 3-(SUBSTITUTED-BENZYL)-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1997-12-18 WO disclosed
US-5683966-A Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils FMC CORPORATION (US) 1997-11-04 US disclosed
US-5391541-A Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils FMC CORPORATION (US) 1995-02-21 US disclosed
WO-1995004461-A1 HERBICIDAL 3-(SUBSTITUTED-BENZYL)-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1995-02-16 WO disclosed