SCHEMBL2820538

SCHEMBL2820538

CC(F)(F)c1ccc(Cn2c[c]c(C(N)=O)n2)o1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2821088 0.79 TDP1 (0.39) HIF1AEPAS1TDP1
SCHEMBL2822729 0.78 HIF1A (0.34) HIF1AEPAS1TDP1
SCHEMBL2819279 0.77 HIF1A (0.31) HIF1AEPAS1TDP1
SCHEMBL14699392 0.76 TDP1 (0.44) HIF1AEPAS1TDP1
SCHEMBL3721159 0.72 KLKB1 (0.34) TDP1
SCHEMBL1167652 0.70 ALDH1A1 (0.42) TDP1
SCHEMBL15189767 0.70 KDM4E (0.36) HIF1AEPAS1TDP1
SCHEMBL13254720 0.69 LMNA (0.32)
SCHEMBL2819099 0.69 LMNA (0.37)
SCHEMBL15520768 0.69 LMNA (0.40)

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-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US claimed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed