SCHEMBL16838482

SCHEMBL16838482

COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1/N=N/c1c(NCS(=O)(=O)O)ccc2c(OC)c(/N=N/c3cc(OC)c(S(=O)(=O)O)cc3O)c(S(=O)(=O)O)cc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ENPP2 Q13822 4/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ MPL P40238 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
SCHEMBL16838435 0.94 PTPN1 (0.38) PRMT1TDP1KDM4EMEN1NPC1
SCHEMBL18675680 0.93 ENPP2 (0.35) ENPP2PTPN1MPL
SCHEMBL16838424 0.92 ENPP2 (0.32) PRMT1TDP1KDM4EMEN1NPC1
SCHEMBL16838427 0.91 ENPP2 (0.35) ENPP2PTPN1MPL
SCHEMBL16838432 0.90 PRMT1 (0.37) PRMT1TDP1KDM4EMEN1NPC1
SCHEMBL16838429 0.89 PTPN1 (0.39) ENPP2PTPN1MPL
SCHEMBL16838477 0.88 PRMT1 (0.33) PRMT1TDP1KDM4EMEN1NPC1
SCHEMBL16838452 0.87 ENPP2 (0.33) PRMT1TDP1MEN1KMT2AENPP2
SCHEMBL16838507 0.87 PRMT1 (0.41) PRMT1TDP1KDM4EMEN1NPC1
SCHEMBL16838434 0.87 ENPP2 (0.34) PRMT1TDP1KDM4EMEN1NPC1

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-9062208-B2 Fiber-reactive copper complex disazo dyes DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-06-23 — — US disclosed
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