SCHEMBL19494512

SCHEMBL19494512

NC(=O)c1cc(Sc2ccc(F)cc2)sc1NC(=O)c1cc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CFTR P13569 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 4/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL19494934 0.80 KMT2A (0.41) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL19494339 0.80 MAPT (0.38) MEN1KMT2ACFTRALDH1A1KDM4E
SCHEMBL19494660 0.78 TYK2 (0.46) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL16337052 0.78 CFTR (0.66) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL19494413 0.78 IKBKB (0.46) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL19494498 0.77 CFTR (0.40) MEN1KMT2ACFTRALDH1A1KDM4E
SCHEMBL19494909 0.77 MAPT (0.37) MEN1KMT2ACFTRALDH1A1KDM4E
SCHEMBL19494538 0.77 MAPK8 (0.38) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL16387385 0.76 KDM4E (0.43) IKBKBMEN1KMT2AJAK2CFTR
SCHEMBL16387386 0.76 MAPT (0.40) IKBKBMEN1KMT2AJAK2CFTR

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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