SCHEMBL16838429

SCHEMBL16838429

COc1cc(S(=O)(=O)O)c(OC)cc1/N=N/c1c(NCS(=O)(=O)O)ccc2c(OC)c(/N=N/c3cc(C)c(S(=O)(=O)CCOS(=O)(=O)O)cc3O)c(S(=O)(=O)O)cc12

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.39
▸ ENPP2 Q13822 3/20 0.36
▸ MPL P40238 1/20 0.31

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 0.92 PTPN1 (0.38) PTPN1ENPP2MPL
SCHEMBL16838482 0.89 PRMT1 (0.36) PTPN1ENPP2MPL
SCHEMBL16838476 0.89 PTPN1 (0.34) PTPN1ENPP2
SCHEMBL18675680 0.88 ENPP2 (0.35) PTPN1ENPP2MPL
SCHEMBL16838424 0.87 ENPP2 (0.32) PTPN1ENPP2MPL
SCHEMBL16838427 0.87 ENPP2 (0.35) PTPN1ENPP2MPL
SCHEMBL18675872 0.85 MPL (0.33) ENPP2MPL
SCHEMBL16838508 0.84 ENPP2 (0.38) PTPN1ENPP2
SCHEMBL14346573 0.84 PTPN1 (0.40) PTPN1ENPP2
SCHEMBL12149045 0.82 PTPN1 (0.42) PTPN1ENPP2MPL

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
Send feedback