SCHEMBL11067366

SCHEMBL11067366

COc1cc(S(=O)(=O)O)c(OC)cc1N.O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12)c1cccc(CS(=O)(=O)CCCl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.48
ENPP2 Q13822 4/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TIMP3 P35625 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NT5E P21589 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL11065797 0.90 TIMP3 (0.44) APEX1ENPP2ATMALDH1A1LMNA
SCHEMBL11048509 0.87 APEX1 (0.63) APEX1ENPP2ALDH1A1LMNAKMT2A
SCHEMBL11048438 0.86 APEX1 (0.47) APEX1ENPP2ALDH1A1MAPTKDM4E
SCHEMBL11049551 0.84 ENPP2 (0.39) APEX1ENPP2ATMALDH1A1KMT2A
SCHEMBL11052845 0.82 APEX1 (0.46) APEX1ENPP2ALDH1A1KMT2AMAPT
SCHEMBL11063383 0.81 TIMP3 (0.43) APEX1ENPP2ALDH1A1KMT2AMAPT
SCHEMBL11052975 0.79 CASP6 (0.47) ENPP2ALDH1A1LMNANT5ESMN1; SMN2
SCHEMBL11050005 0.78 APEX1 (0.53) APEX1ENPP2ALDH1A1KMT2AMAPT
SCHEMBL11049881 0.77 APEX1 (0.57) APEX1ENPP2ALDH1A1LMNAKMT2A
SCHEMBL9145883 0.77 APEX1 (0.64) APEX1ENPP2ALDH1A1KMT2AMAPT

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