SCHEMBL11022672

SCHEMBL11022672

Nc1ccc2cc(S(N)(=O)=O)cc(O)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.78
CASP6 P55212 4/20 0.58
NSD2 O96028 3/20 0.58
DUSP3 P51452 2/20 0.58
PTPN5 P54829 2/20 0.58
PTPN11 Q06124 2/20 0.58
CTDSP1 Q9GZU7 2/20 0.50
CA2 P00918 7/20 0.45
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA9 Q16790 5/20 0.45
CA14 Q9ULX7 3/20 0.45
CA4 P22748 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10623050 0.88 NT5E (1.00) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL156692 0.88 NT5E (1.00) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10332181 0.88 NT5E (1.00) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9776668 0.86 NT5E (0.97) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL11309339 0.86 NT5E (0.97) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL4113779 0.86 NT5E (0.97) NT5ECASP6NSD2DUSP3PTPN5
Water SCHEMBL7701819 0.86 NT5E (0.97) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL1807466 0.86 NT5E (0.58) NT5ECASP6NSD2DUSP3PTPN5
Silver SCHEMBL11309326 0.85 NT5E (0.71) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL29702480 0.85 NT5E (0.71) NT5ECASP6NSD2DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 US disclosed