SCHEMBL9818205

SCHEMBL9818205

CN(C(=O)CCl)c1ccc2c(O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.53
CASP6 P55212 5/20 0.50
PRMT1 Q99873 2/20 0.50
DUSP3 P51452 2/20 0.50
PTPN5 P54829 2/20 0.50
PTPN11 Q06124 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.43
NT5E P21589 3/20 0.41
SIRT1 Q96EB6 1/20 0.37
CASP7 P55210 1/20 0.36
APEX1 P27695 1/20 0.35
CYP2C9 P11712 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7720118 0.84 NSD2 (0.58) NSD2CASP6PRMT1DUSP3PTPN5
SCHEMBL27138366 0.81 NSD2 (0.78) NSD2CASP6PRMT1DUSP3PTPN5
SCHEMBL27425514 0.79 NSD2 (0.58) NSD2CASP6PRMT1DUSP3PTPN5
SCHEMBL10384211 0.79 NSD2 (0.52) NSD2CASP6PRMT1DUSP3PTPN5
SCHEMBL10383199 0.79 NSD2 (0.49) NSD2CASP6PRMT1DUSP3PTPN5
SCHEMBL1373253 0.79 NSD2 (0.61) NSD2CASP6PRMT1DUSP3PTPN5
SCHEMBL10894768 0.78 CASP6 (0.56) NSD2CASP6PRMT1DUSP3PTPN5
SCHEMBL10405723 0.78 NSD2 (0.43) NSD2CASP6PRMT1DUSP3PTPN5
SCHEMBL9401734 0.76 PRMT1 (0.62) NSD2CASP6PRMT1DUSP3PTPN5
SCHEMBL9615069 0.76 CASP6 (0.51) NSD2CASP6PRMT1DUSP3PTPN5

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-0317859-A2 Azo dyes containing polyethylenimine BASF Aktiengesellschaft (DE) 1989-05-31 EP disclosed