SCHEMBL11688667

SCHEMBL11688667

CNS(=O)(=O)c1cc(C#N)c(N)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA3 P07451 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA6 P23280 2/20 0.37
▸ CA5A P35218 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA13 Q8N1Q1 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ CA5B Q9Y2D0 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTT P42858 1/20 0.36

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
SCHEMBL11203275 0.79 EPAS1 (0.38) IKBKBCHUKLRRK2LMNAALDH1A1
SCHEMBL2308454 0.75 SMN1; SMN2 (0.36) IKBKBCHUKSMN1; SMN2GAACA12
SCHEMBL11686066 0.75 FEN1 (0.39) TSHRCYP3A4
SCHEMBL11519787 0.75 ALDH1A1 (0.40) SMN1; SMN2GAALMNAL3MBTL1ALDH1A1
SCHEMBL10153815 0.74 ACLY (0.53) SMN1; SMN2GAACA12CA1CA2
SCHEMBL19771455 0.71 LMNA (0.54) IKBKBCHUKSMN1; SMN2GAACA12
SCHEMBL11594800 0.71 SMN1; SMN2 (0.46) SMN1; SMN2GAACA12CA1CA2
SCHEMBL11686141 0.71 CA1 (0.57) SMN1; SMN2GAACA12CA1CA2
SCHEMBL11682482 0.71 CA1 (0.59) SMN1; SMN2GAACA12CA1CA2
SCHEMBL20779880 0.68 CA1 (0.48) SMN1; SMN2CA1CA2CA9LMNA

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
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 — — US disclosed
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