SCHEMBL19494932

SCHEMBL19494932

CNc1sc([S+]([O-])c2ccc(F)cc2)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 6/20 0.43
▸ JAK2 O60674 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ EIF2AK2 P19525 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CFTR P13569 4/20 0.41
▸ MAPK8 P45983 1/20 0.34
▸ CHUK O15111 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL19494507 0.81 IKBKB (0.40) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL19494397 0.81 CFTR (0.44) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL19494741 0.81 CFTR (0.49) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL19494474 0.80 NNMT (0.37) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL16263935 0.79 JAK2 (0.42) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL19494366 0.79 JAK2 (0.55) JAK2
SCHEMBL19494743 0.76 CHEK1 (0.39) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL19494662 0.76 TYK2 (0.44) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL16263785 0.72 CHEK1 (0.50) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL19494736 0.72 JAK2 (0.32) IKBKBJAK2MEN1KMT2ACFTR

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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