SCHEMBL3717210

SCHEMBL3717210

CC(F)(F)c1csc(Cn2ncc(C(N)=O)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.33
FPR2 P25090 2/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
STAT1 P42224 1/20 0.31
KMT2A Q03164 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30
SLC2A1 P11166 1/20 0.30
SLC2A3 P11169 1/20 0.30
SLC2A4 P14672 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
SCHEMBL1703742 0.81 TP53 (0.31) TP53TSHRSTAT1
SCHEMBL2332615 0.80 MAPT (0.40) PTGER1FPR2
SCHEMBL13254726 0.79 CYP2C9 (0.32) PTGER1TP53TSHRSTAT1KMT2A
SCHEMBL1703930 0.76 MEN1 (0.31) KMT2A
SCHEMBL9901600 0.70 FPR2 (0.51) FPR2
SCHEMBL3721159 0.70 KLKB1 (0.34) FPR2KMT2A
SCHEMBL30281161 0.69 KMT2A (0.38) TSHRKMT2A
SCHEMBL1703980 0.68 PTGER1 (0.35) PTGER1FPR2TP53TSHRSTAT1
SCHEMBL1703979 0.68 FPR2 (0.67) FPR2
SCHEMBL2332703 0.68 RAB9A (0.35) FPR2

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