SCHEMBL11063808

SCHEMBL11063808

Nc1ccc(S(=O)(=O)O)c2ccccc12.O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12)c1ccc(CS(=O)(=O)CCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.54
ENPP2 Q13822 3/20 0.42
CASP6 P55212 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TIMP3 P35625 4/20 0.38
CYP1A2 P05177 3/20 0.37
CD40 P25942 1/20 0.36
CD40LG P29965 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
THRB P10828 1/20 0.36
USP2 O75604 2/20 0.35
RECQL P46063 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
DNASE1L3 Q13609 1/20 0.35
NT5E P21589 1/20 0.35

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
SCHEMBL11065294 0.91 APEX1 (0.49) APEX1ENPP2CASP6CTDSP1TIMP3
SCHEMBL11050005 0.89 APEX1 (0.53) APEX1ENPP2CASP6CTDSP1TIMP3
SCHEMBL11058317 0.88 APEX1 (0.57) APEX1ENPP2CASP6CTDSP1TIMP3
SCHEMBL9145883 0.87 APEX1 (0.64) APEX1ENPP2CASP6CTDSP1TIMP3
SCHEMBL11084677 0.87 APEX1 (0.51) APEX1ENPP2CASP6CTDSP1TIMP3
SCHEMBL11060526 0.87 APEX1 (0.51) APEX1ENPP2CASP6CTDSP1TIMP3
SCHEMBL11087743 0.87 APEX1 (0.51) APEX1ENPP2CASP6CTDSP1TIMP3
SCHEMBL11057878 0.86 APEX1 (0.55) APEX1ENPP2CASP6CTDSP1TIMP3
Anthranilic Acid SCHEMBL11074466 0.85 APEX1 (0.58) APEX1ENPP2CASP6CTDSP1CYP1A2
SCHEMBL11060993 0.85 APEX1 (0.51) APEX1ENPP2CASP6CTDSP1TIMP3

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-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed