SCHEMBL13730901

SCHEMBL13730901

C=C/C(Cc1c(Cl)cccc1Cl)=N/OCc1ccccc1/C(=N\OC)C(=O)NC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.41
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29459542 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL29360626 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL19855 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL1274291 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL120673 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL16736989 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL29363117 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL19206930 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL120674 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL30086156 0.78 HIF1A (0.41) HIF1APTGS2ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699093-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND A FUNGICIDAL COMPOUND Bayer Intellectual Property GmbH (DE) 2014-02-26 EP claimed
WO-2012143127-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND A FUNGICIDAL COMPOUND BAYER CROPSCIENCES AG (DE) 2012-10-26 WO claimed