SCHEMBL13604282

SCHEMBL13604282

C=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2ccc(/N=N/c3ccc(/N=N/c4ccc(SOOO)cc4)cc3S(=O)(=O)O)c(NC(C)=O)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.33
▸ PTPN11 Q06124 1/20 0.32
▸ KCNH3 Q9ULD8 1/20 0.31
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 1/20 0.30

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
SCHEMBL13611634 0.84 KCNH3 (0.32) ENPP2KCNH3
SCHEMBL13823097 0.83 ATIC (0.36) ENPP2KCNH3
SCHEMBL13604277 0.83 KCNH3 (0.31) KCNH3
SCHEMBL13881094 0.75 CA12 (0.33) ENPP2KCNH3CD40CD40LG
SCHEMBL13604272 0.74 KCNH3 (0.33) KCNH3
SCHEMBL14379261 0.73 ATIC (0.36) PTPN11
SCHEMBL13881076 0.72 CD40 (0.43) ENPP2CD40CD40LG
SCHEMBL6123918 0.71 ENPP2 (0.38) ENPP2PTPN11CD40CD40LG
SCHEMBL13611632 0.70 KCNH3 (0.33) KCNH3
SCHEMBL13881108 0.70 ATIC (0.42) ENPP2KCNH3

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-20090320217-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-31 — — US disclosed
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