SCHEMBL10693379

SCHEMBL10693379

NCCCc1ccc([N+](=O)[O-])c(N)c1S(=O)(=O)CCS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
KAT2B Q92831 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TXNRD1 Q16881 2/20 0.31
GSTP1 P09211 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NSD2 O96028 1/20 0.30
GAA P10253 1/20 0.30
PLCG1 P19174 1/20 0.30
DNMT1 P26358 1/20 0.30
CASP6 P55212 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL10694492 0.93 ALDH1A1 (0.33) ALDH1A1MAPTF2PRSS1PRSS2
SCHEMBL10692298 0.80 FBP1 (0.32) ALDH1A1MAPTTXNRD1MEN1RAB9A
SCHEMBL10630338 0.78 CA2 (0.37) ALDH1A1MAPTF2PRSS1PRSS2
SCHEMBL10636690 0.72 TXNRD1 (0.41) ALDH1A1TXNRD1RAB9AKMT2AGAA
SCHEMBL27964024 0.64 ALDH1A1 (0.58) KAT2BALDH1A1F2PRSS1PRSS2
SCHEMBL3192229 0.64 CA12 (0.49) ALDH1A1MAPTNSD2GAAPLCG1
SCHEMBL10694766 0.63 APP (0.35) APP
SCHEMBL5170316 0.63 APP (0.48) APPALDH1A1MAPTGAA
SCHEMBL4086162 0.63 ATM (0.53) KAT2BALDH1A1MAPTL3MBTL1
SCHEMBL1477561 0.62 ALDH1A1 (0.55) ALDH1A1F2PRSS1PRSS2PRSS3

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-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0229339-A2 Water soluble triphene dioxazine compounds, their starting compounds containing sulphonyl groups, process for their preparation and use of the triphene dioxazines as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed