SCHEMBL4668988

SCHEMBL4668988

COC(=O)c1cc(C)ccc1Nc1cc(-c2cccc(OC(C)C)c2)nn1-c1c(C)cncc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.49
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
TEK Q02763 2/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.34
WDR5 P61964 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
SCHEMBL4666640 0.92 DHODH (0.58) DHODHMAPTTP53KEAP1NFE2L2
Hydrochloric Acid SCHEMBL4666221 0.92 DHODH (0.57) DHODHMAPTTP53KEAP1NFE2L2
SCHEMBL14600673 0.85 DHODH (0.47) DHODHMAPTTP53TEKKEAP1
SCHEMBL14600273 0.85 DHODH (0.46) DHODHMAPTTP53KEAP1NFE2L2
SCHEMBL14600674 0.81 DHODH (0.44) DHODHMAPTTP53TEKKEAP1
SCHEMBL14600681 0.80 DHODH (0.44) DHODHMAPTTP53KEAP1NFE2L2
SCHEMBL4668579 0.78 F2 (0.35) MAPTTP53LMNA
SCHEMBL4665241 0.77 DHODH (0.54) DHODHMAPTTP53KEAP1NFE2L2
SCHEMBL4665751 0.77 HPGD (0.43) MAPTTP53LMNA
SCHEMBL14600682 0.76 DHODH (0.55) DHODHKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed