SCHEMBL28023399

SCHEMBL28023399

O=C(Cl)c1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TNNI3 P19429 1/20 0.32
TNNT2 P45379 1/20 0.32
TNNC1 P63316 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
PKM P14618 1/20 0.32
TIMP3 P35625 1/20 0.31
MEN1 O00255 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL890520 0.84 CDC25B (0.34) CDC25BALDH1A1TSHRTDP1LCK
SCHEMBL7932106 0.82 CDC25B (0.33) CDC25BALDH1A1TSHRTDP1LCK
SCHEMBL7542974 0.81 CDC25B (0.55) CDC25BTSHRTDP1LCKFYN
SCHEMBL8533484 0.78 KDM4E (0.33) CDC25BALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL1926208 0.72 TDP1 (0.45) ALDH1A1TSHRTDP1KMT2ASMN1; SMN2
SCHEMBL20590494 0.72 CDC25B (0.34) CDC25BALDH1A1TSHRTDP1KMT2A
SCHEMBL8747696 0.71 LMNA (0.52) ALDH1A1TSHRTDP1LCKFYN
SCHEMBL2776759 0.71 RAPGEF4 (0.44) CDC25BALDH1A1TSHRTDP1KMT2A
SCHEMBL3248878 0.71 HTT (0.44) KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL9828047 0.71 ALDH1A1 (0.32) ALDH1A1TDP1LCKFYNCASP1

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
CN-104016855-B Synthesis method of 3,5-dichlorobenzoyl chloride JIANGXI JIXIANG PHARMACEUTICAL CO LTD 2015-06-24 CN disclosed