SCHEMBL3721159

SCHEMBL3721159

CC(F)(F)c1ccc(Cn2ncc(C(N)=O)n2)o1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
FPR2 P25090 2/20 0.30
CACNA1H O95180 2/20 0.30
GRM2 Q14416 4/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1C Q13936 1/20 0.30
GRM3 Q14832 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
SCHEMBL1704113 0.81 GRIN1 (0.34)
SCHEMBL2822729 0.79 HIF1A (0.34) KMT2AKDM4ETDP1
SCHEMBL2328383 0.79 KDM4E (0.41) KLKB1KMT2AKDM4ETDP1
SCHEMBL2330103 0.77 KLKB1 (0.35) KLKB1KDM4ETDP1
SCHEMBL2820538 0.72 HIF1A (0.31) TDP1
SCHEMBL2329158 0.71 KLKB1 (0.34) KLKB1FPR2
SCHEMBL30209668 0.70 KMT2A (0.36) KMT2AGRM2KCNH2
SCHEMBL3717210 0.70 PTGER1 (0.33) KMT2AFPR2
SCHEMBL30281161 0.70 KMT2A (0.38) KMT2AGRM2KCNH2
SCHEMBL2327771 0.69 KLKB1 (0.34) KLKB1GRM2

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-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 EP claimed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US claimed
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO claimed
EP-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 EP disclosed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO disclosed