SCHEMBL2464008

SCHEMBL2464008

COC(=O)Oc1nc(-c2ccc(Cl)c(C)c2Cl)cc(NC(C)=O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
AGPAT2 O15120 1/20 0.36
ALPL P05186 1/20 0.36
RORC P51449 3/20 0.36
PDCD1LG2 Q9BQ51 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ABL1 P00519 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2468304 0.90 ALDH1A1 (0.38) NUDT1ALDH1A1MAPTLMNAPOLB
SCHEMBL2469725 0.88 ALDH1A1 (0.40) NUDT1ALDH1A1ALPLPDCD1LG2CD274
SCHEMBL2464679 0.86 ALPL (0.38) NUDT1ALDH1A1ALPLPDCD1LG2CD274
SCHEMBL2470012 0.85 ALDH1A1 (0.38) NUDT1ALDH1A1MAPTALPLRORC
SCHEMBL17797205 0.84 ALDH1A1 (0.38) NUDT1ALDH1A1ALPLRORCPDCD1LG2
SCHEMBL3327361 0.84 ALDH1A1 (0.46) NUDT1ALDH1A1MAPTLMNAPOLB
SCHEMBL2465978 0.83 ALDH1A1 (0.38) NUDT1ALDH1A1PDCD1LG2CD274ABL1
SCHEMBL2467053 0.83 PIK3CA (0.36) ALDH1A1POLBSCN9ASCN2ASCN3A
SCHEMBL17797246 0.82 ALDH1A1 (0.36) NUDT1ALDH1A1ALPLRORCPDCD1LG2
SCHEMBL2464613 0.82 ADORA2A (0.39) NUDT1ALDH1A1PDCD1LG2CD274ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed