SCHEMBL19494538

SCHEMBL19494538

CN(Cc1ccc(F)cc1F)Sc1cc(C(N)=O)c(NC(=O)c2cc[nH]n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.38
▸ CFTR P13569 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ EIF2AK2 P19525 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ RIPK1 Q13546 2/20 0.32
▸ GRM4 Q14833 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19494883 0.83 CFTR (0.45) CFTRALDH1A1MAPTMEN1KMT2A
SCHEMBL19494715 0.82 CFTR (0.38) MAPK8CFTRALDH1A1MAPTMEN1
SCHEMBL16246336 0.82 CFTR (0.49) MAPK8CFTRALDH1A1MAPTMEN1
SCHEMBL19494339 0.81 MAPT (0.38) CFTRALDH1A1MAPTMEN1KMT2A
SCHEMBL19494641 0.81 CFTR (0.37) MAPK8CFTRALDH1A1MAPTMEN1
SCHEMBL19494909 0.79 MAPT (0.37) CFTRALDH1A1MAPTMEN1KMT2A
SCHEMBL19494512 0.77 IKBKB (0.41) CFTRALDH1A1MAPTMEN1KMT2A
SCHEMBL16263744 0.72 CFTR (0.58) CFTRMEN1KMT2AJAK2IKBKB
SCHEMBL16246328 0.71 CFTR (0.47) CFTRALDH1A1MAPTMEN1KMT2A
SCHEMBL16387385 0.71 KDM4E (0.43) CFTRALDH1A1MAPTMEN1KMT2A

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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