SCHEMBL11048438

SCHEMBL11048438

COc1cc(S(=O)(=O)O)c(C)cc1N.O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12)c1ccc(CS(=O)(=O)CCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.47
ENPP2 Q13822 6/20 0.38
POLB P06746 1/20 0.37
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC3 O15379 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL11058588 0.87 APEX1 (0.48) APEX1ENPP2POLBCASP6CTDSP1
SCHEMBL11067366 0.86 APEX1 (0.48) APEX1ENPP2KDM4EMAPTHDAC1
SCHEMBL11050005 0.85 APEX1 (0.53) APEX1ENPP2CASP6CTDSP1MAPT
SCHEMBL9145883 0.85 APEX1 (0.64) APEX1ENPP2POLBCASP6CTDSP1
SCHEMBL11063383 0.84 TIMP3 (0.43) APEX1ENPP2POLBCASP6CTDSP1
SCHEMBL11044460 0.83 APEX1 (0.53) APEX1ENPP2POLBCASP6CTDSP1
SCHEMBL11057878 0.83 APEX1 (0.55) APEX1ENPP2POLBCASP6CTDSP1
SCHEMBL11087743 0.83 APEX1 (0.51) APEX1ENPP2CASP6CTDSP1ALDH1A1
SCHEMBL11084677 0.83 APEX1 (0.51) APEX1ENPP2POLBCASP6CTDSP1
SCHEMBL11060526 0.83 APEX1 (0.51) APEX1ENPP2POLBCASP6CTDSP1

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