SCHEMBL10413613

SCHEMBL10413613

Nc1ccc(S(=O)(=O)O)c(-n2[nH]c(C(=O)O)cc2=O)c1.Nc1ccccc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 17/20 0.39
KDM4E B2RXH2 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
APOBEC3A P31941 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSA P10619 1/20 0.33
TTR P02766 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
SCHEMBL8076096 0.92 ALKBH5 (0.45) ALKBH5KDM4ENSD2ALDH1A1POLB
SCHEMBL693607 0.86 ALKBH5 (0.48) ALKBH5CTSA
SCHEMBL11228689 0.85 ALKBH5 (0.52) ALKBH5ALDH1A1POLBMAPTL3MBTL1
SCHEMBL7830050 0.85 ALKBH5 (0.45) ALKBH5KDM4ENSD2ALDH1A1POLB
SCHEMBL10412743 0.82 ALKBH5 (0.50) ALKBH5KDM4EALDH1A1POLBMAPT
SCHEMBL11139711 0.79 KDM4E (0.40) ALKBH5KDM4ENSD2ALDH1A1POLB
SCHEMBL1939982 0.78 ALKBH5 (0.46) ALKBH5KDM4EALDH1A1CTSA
SCHEMBL10390925 0.78 ALKBH5 (0.43) ALKBH5KDM4EALDH1A1TDP1CTSA
SCHEMBL8751526 0.77 ALKBH5 (0.56) ALKBH5KDM4EALDH1A1MAPTTDP1
SCHEMBL9558930 0.76 ALKBH5 (0.51) ALKBH5CTSA

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-4906738-A Water-soluble phenyl- or naphthyl-azo-carboxypyrazolone compounds, containing a fiber-reactive group with a chloratriazinyl moiety and a group of the vinylsulfone series in the pyrazolone coupling component, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed