SCHEMBL9818239

SCHEMBL9818239

O=C(CCl)Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.70
PRMT1 Q99873 7/20 0.59
CASP6 P55212 3/20 0.59
NSD2 O96028 3/20 0.59
DUSP3 P51452 2/20 0.59
PTPN5 P54829 2/20 0.59
PTPN11 Q06124 2/20 0.59
CASP7 P55210 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.50
ENPP2 Q13822 1/20 0.46
SIRT1 Q96EB6 1/20 0.44
GSTO1 P78417 5/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NOD2 Q9HC29 1/20 0.43

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
SCHEMBL9818196 0.91 PRMT1 (0.72) NT5EPRMT1CASP6NSD2DUSP3
SCHEMBL10487438 0.90 NT5E (0.67) NT5EPRMT1CASP6NSD2DUSP3
SCHEMBL8109744 0.87 NT5E (0.70) NT5EPRMT1CASP6NSD2DUSP3
SCHEMBL8415059 0.87 NT5E (0.70) NT5EPRMT1CASP6NSD2DUSP3
SCHEMBL10574745 0.86 PRMT1 (0.61) NT5EPRMT1GSTO1MITFALDH1A1
SCHEMBL10795626 0.86 NT5E (0.68) NT5EPRMT1CASP6NSD2DUSP3
SCHEMBL10900036 0.85 PRMT1 (0.81) NT5EPRMT1CASP6NSD2DUSP3
SCHEMBL29384348 0.85 PRMT1 (0.81) NT5EPRMT1CASP6NSD2DUSP3
SCHEMBL8115834 0.85 NT5E (0.67) NT5EPRMT1CASP6NSD2DUSP3
SCHEMBL8439783 0.82 NT5E (1.00) NT5EPRMT1CASP6NSD2DUSP3

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-0317859-B1 AZO DYES CONTAINING POLYETHYLENIMINE BASF Aktiengesellschaft (DE) 1991-11-27 EP disclosed
US-4962190-A PRINTING, DYEING CELLULOSE CONTAINING MATERIAL BASF AKTIENGESELLSCHAFT (DE) 1990-10-09 US disclosed
EP-0078008-A2 Reactive dyestuffs BASF Aktiengesellschaft (DE) 1983-05-04 EP disclosed