SCHEMBL22874258

SCHEMBL22874258

C=C(C)C(C)(C)c1cc(S(=O)(=O)O)ccc1Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.48
CASP6 P55212 4/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GAA P10253 3/20 0.46
NSD2 O96028 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 2/20 0.46
APEX1 P27695 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
PTPRA P18433 1/20 0.43
PTPRB P23467 1/20 0.43
CHAT P28329 1/20 0.40
TTR P02766 1/20 0.40
FABP4 P15090 1/20 0.40
CCNA2 P20248 1/20 0.40

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
SCHEMBL10020282 0.82 CASP6 (0.36) SNCACASP6TDP1KDM4EALDH1A1
SCHEMBL20961722 0.81 SNCA (0.49) SNCACASP6POLBMAPTTDP1
SCHEMBL23450734 0.81 SNCA (0.49) SNCACASP6POLBMAPTTDP1
SCHEMBL15452188 0.75 LMNA (0.37) SNCACASP6MAPTTDP1GAA
SCHEMBL10081850 0.74 ALDH1A1 (0.40) MAPTTDP1L3MBTL1GAAKDM4E
SCHEMBL15137715 0.74 ALDH1A1 (0.45) CASP6MAPTTDP1L3MBTL1GAA
SCHEMBL7890122 0.73 SNCA (0.59) SNCACASP6POLBMAPTTDP1
SCHEMBL9155264 0.72 ALDH1A1 (0.59) SNCACASP6POLBMAPTTDP1
SCHEMBL29151672 0.72 SNCA (0.58) SNCACASP6POLBMAPTTDP1
SCHEMBL18439074 0.71 SNCA (0.37) SNCACASP6POLBMAPTTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828167-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS Illumina Cambridge Limited (GB) 2021-06-02 EP disclosed
EP-3476830-B1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LTD (GB) 2021-01-13 EP disclosed