SCHEMBL13201659

SCHEMBL13201659

Cc1cc(N=Nc2ccccc2)ccc1Nc1nc(NCS(=O)(=O)O)nc(Nc2ccc(N=Nc3ccc4ccccc4c3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ENPP2 Q13822 1/20 0.35
▸ KCNH3 Q9ULD8 7/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ FUT8 Q9BYC5 1/20 0.33
▸ GLO1 Q04760 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ SNCA P37840 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
SCHEMBL13201660 0.95 KCNH3 (0.38) MEN1NPC1RAB9AKMT2AKCNH3
SCHEMBL13201662 0.87 MAPT (0.34) MEN1NPC1KMT2ACA12CA2
SCHEMBL13797706 0.86 MEN1 (0.41) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL13201663 0.82 KMT2A (0.46) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL12301036 0.82 KMT2A (0.46) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL13797708 0.81 KCNH3 (0.42) NPC1RAB9AKCNH3RECQLMCL1
SCHEMBL12301046 0.74 CHAT (0.37) MEN1KMT2AENPP2CA12CA2
SCHEMBL13797738 0.73 GAA (0.37) NPC1RAB9AKCNH3
SCHEMBL10155926 0.72 KCNH3 (0.54) KCNH3RECQLMCL1
SCHEMBL23786277 0.71 KCNH3 (0.54) MEN1KMT2AKCNH3CA12CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771525-B2 Water-soluble azo compound or salt thereof, ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-08-10 — — US disclosed
US-20100068475-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
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