SCHEMBL10014029

SCHEMBL10014029

Nc1ccc2c(O)c(N)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.55
NSD2 O96028 2/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
NT5E P21589 3/20 0.47
PLAU P00749 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
ENPP2 Q13822 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 5/20 0.39
HSD17B10 Q99714 4/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
RECQL P46063 4/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL7790474 0.88 NT5E (0.57) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL517711 0.85 CASP6 (0.54) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6018444 0.84 CASP6 (0.43) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL5028738 0.83 CASP6 (0.54) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL5694580 0.83 CTRB1 (0.48) CASP6CYP1A2ALDH1A1TDP1MAPT
SCHEMBL22919235 0.81 NSD2 (0.42) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL4078302 0.80 CASP6 (0.49) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL27514313 0.80 ENPP2 (0.46) PHLPP2ENPP2CYP1A2ALDH1A1TDP1
SCHEMBL14339180 0.79 ALDH1A1 (0.38) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29215781 0.79 CASP6 (0.57) CASP6NSD2DUSP3PTPN5PTPN11

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-8175860-B2 Method of inhibiting the growth of Helicobacter pylori NATIONAL TSING HUA UNIVERSITY (TW) 2012-05-08 US disclosed