SCHEMBL19494695

SCHEMBL19494695

NC(=O)c1cc(N(O)SN2CCCCC2)sc1NC(=O)C1CC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ MAPK10 P53779 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CHEK1 O14757 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CFTR P13569 2/20 0.32
▸ AURKA O14965 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31

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
SCHEMBL19494401 0.79 CFTR (0.46) MAPK1GFERHTTMAPTHPGD
SCHEMBL19494686 0.75 MAPK8 (0.49) MAPTHPGDCHEK1KDM4EMEN1
SCHEMBL16338734 0.75 CFTR (0.56) MAPK1GFERMAPK10HTTMAPT
SCHEMBL19494892 0.73 MMP1 (0.41) MAPK10HTTMAPTHPGDKDM4E
SCHEMBL19494386 0.73 CFTR (0.39) MAPK1GFERMAPK10MAPTHPGD
SCHEMBL19494611 0.70 CFTR (0.45) MAPTCHEK1KDM4EMEN1KMT2A
SCHEMBL19494313 0.68 IKBKB (0.32) MAPTKDM4EMEN1KMT2AUSP2
SCHEMBL19494440 0.68 MAPK1 (0.31) MAPK1GFER
SCHEMBL19494647 0.66 CFTR (0.41) MAPK1GFERHPGDCHEK1KDM4E
SCHEMBL19494312 0.66 MEN1 (0.32) MAPTKDM4EMEN1KMT2AUSP2

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
EP-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 — — EP disclosed
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