SCHEMBL7205433

SCHEMBL7205433

O=C(O)c1ccc(S(=O)(=O)O)cc1Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.56
AKR1C3 P42330 9/20 0.56
AKR1C2 P52895 9/20 0.56
MAPT P10636 2/20 0.55
GFER P55789 1/20 0.55
NGLY1 Q96IV0 1/20 0.55
FABP4 P15090 1/20 0.54
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
PTPRA P18433 1/20 0.47
PTPRB P23467 1/20 0.47
NSD2 O96028 2/20 0.47
CASP6 P55212 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL7890122 0.81 SNCA (0.59) SNCAMAPTFABP4KDM4EALDH1A1
SCHEMBL29151672 0.79 SNCA (0.58) SNCAMAPTFABP4KDM4EALDH1A1
SCHEMBL14496919 0.79 KDM4E (0.53) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5319368 0.79 ALDH1A1 (0.53) SNCAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28472949 0.78 AKR1C3 (0.64) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL351705 0.77 MAPT (0.79) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL2476797 0.77 MAPT (0.63) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL14594644 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9155264 0.76 ALDH1A1 (0.59) SNCAMAPTGFERFABP4KDM4E
SCHEMBL9172301 0.76 MAPT (0.76) AKR1C3AKR1C2MAPTGFERNGLY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605142-B1 Copper, nickel, or manganese carboxylate and colorant; ink jet printing AVECIA LIMITED (GB) 2003-08-12 US claimed
EP-1153093-A1 CHEMICAL COMPOSITION FOR INK Avecia Limited (GB) 2001-11-14 EP claimed
WO-2000037574-A1 CHEMICAL COMPOSITION FOR INK AVECIA LIMITED (GB) 2000-06-29 WO claimed
US-6605142-B1 Copper, nickel, or manganese carboxylate and colorant; ink jet printing AVECIA LIMITED (GB) 2003-08-12 US disclosed
EP-1153093-A1 CHEMICAL COMPOSITION FOR INK Avecia Limited (GB) 2001-11-14 EP disclosed
WO-2000037574-A1 CHEMICAL COMPOSITION FOR INK AVECIA LIMITED (GB) 2000-06-29 WO disclosed