SCHEMBL23854075

SCHEMBL23854075

O=S(=O)(O)c1cc(Nc2ccccc2)ccc1/C=C/c1ccc(Nc2ccccc2)cc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.55
▸ TNNI3 P19429 1/20 0.55
▸ TNNT2 P45379 1/20 0.55
▸ TNNC1 P63316 1/20 0.55
▸ HKDC1 Q2TB90 1/20 0.55
▸ SNCA P37840 2/20 0.54
▸ NSD2 O96028 2/20 0.50
▸ CASP6 P55212 2/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ PTPN5 P54829 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ PTPN11 Q06124 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ APEX1 P27695 1/20 0.48

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
SCHEMBL30009625 0.92 MAPT (0.62) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL16363758 0.90 ENPP2 (0.67) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL168451 0.90 ENPP2 (0.49) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL11625123 0.90 ENPP2 (0.49) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL168452 0.90 ENPP2 (0.49) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL2221705 0.89 SNCA (0.50) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL1447494 0.89 ENPP2 (0.48) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL2221661 0.89 ENPP2 (0.48) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL1169592 0.89 ENPP2 (0.48) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL9436833 0.86 TNNI3K (0.50) ENPP2TNNI3TNNT2TNNC1HKDC1

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
EP-3883922-A1 DISULFONATE STILBENES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES Université de Nantes (FR) 2021-09-29 — — EP disclosed
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