SCHEMBL14600682

SCHEMBL14600682

Cc1ccc(Nc2cc(-c3cccc(OC(C)C)c3)nn2-c2nc(C)cnc2C)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.55
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL14600729 0.92 DHODH (0.47) DHODHKEAP1NFE2L2
SCHEMBL14600683 0.92 GFER (0.44) DHODHKEAP1NFE2L2
SCHEMBL14600470 0.92 DHODH (0.54) DHODH
SCHEMBL14600479 0.90 DHODH (0.45) DHODH
SCHEMBL14600685 0.89 DHODH (0.42) DHODH
SCHEMBL14600474 0.87 DHODH (0.52) DHODH
SCHEMBL14600472 0.86 DHODH (0.47) DHODH
SCHEMBL14600670 0.85 DHODH (0.45) DHODH
SCHEMBL14600725 0.85 MAPT (0.47) DHODH
SCHEMBL14600473 0.85 DHODH (0.59) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed