SCHEMBL7498528

SCHEMBL7498528

CCON=C(C(C)=NOCc1ccccc1C(=NOC)C(=O)NC)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.39
FFAR1 O14842 1/20 0.35
SLC6A4 P31645 3/20 0.34
HTR2A P28223 2/20 0.34
KCNH2 Q12809 2/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
KMO O15229 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL7495777 0.92 HIF1A (0.44) HIF1APTGS2
SCHEMBL17949971 0.87 HIF1A (0.45) HIF1APTGS2CYP1A2CYP2D6CYP2C19
SCHEMBL7492706 0.87 HIF1A (0.42) HIF1APPARGPPARA
SCHEMBL8544633 0.87 HIF1A (0.44) HIF1APPARG
SCHEMBL7716053 0.83 HIF1A (0.48) HIF1APTGS2CYP1A2CYP2D6CYP2C19
SCHEMBL7716055 0.83 HIF1A (0.48) HIF1APTGS2CYP1A2CYP2D6CYP2C19
SCHEMBL17937973 0.83 HIF1A (0.48) HIF1APTGS2CYP1A2CYP2D6CYP2C19
SCHEMBL7469941 0.83 ALDH1A1 (0.35) HIF1AFFAR1SLC6A4HTR2AKCNH2
SCHEMBL7469944 0.83 ALDH1A1 (0.35) HIF1AFFAR1SLC6A4HTR2AKCNH2
SCHEMBL7494032 0.82 HIF1A (0.47) HIF1A

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-1207152-A2 Pesticides Bayer Aktiengesellschaft (DE) 2002-05-22 EP disclosed
US-5985921-A OXIDATION AND HYDROGENATION OF COMPOUNDS TO FORM INSECTICIDES AS AGROCHEMICALS NOVARTIS CORPORATION (US) 1999-11-16 US disclosed