SCHEMBL19494686

SCHEMBL19494686

NC(=O)c1cc(N(O)SN2CCCCC2)sc1NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 11/20 0.49
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CFTR P13569 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ IKBKB O14920 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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 0.77 CFTR (0.46) ALDH1A1MEN1KMT2AMAPTCHEK1
SCHEMBL16337192 0.76 KMT2A (0.57) MAPK8ALDH1A1MEN1KMT2AMAPT
SCHEMBL19494695 0.75 MAPK1 (0.41) ALDH1A1MEN1KMT2AMAPTCHEK1
SCHEMBL19494892 0.74 MMP1 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL19494386 0.74 CFTR (0.39) ALDH1A1MEN1KMT2AMAPTCHEK1
SCHEMBL6997948 0.69 JAK2 (0.64) MAPK8MEN1KMT2AMAPTKDM4E
SCHEMBL19494611 0.69 CFTR (0.45) ALDH1A1MEN1KMT2AMAPTCHEK1
SCHEMBL19494312 0.68 MEN1 (0.32) MEN1KMT2AMAPTKDM4ECFTR
SCHEMBL19494896 0.67 CFTR (0.43) MAPK8MEN1KMT2ACHEK1CFTR
SCHEMBL19494313 0.67 IKBKB (0.32) ALDH1A1MEN1KMT2AMAPTKDM4E

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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