SCHEMBL4579511

SCHEMBL4579511

O=[N+]([O-])c1cccc(S(=O)(=O)O)c1.[Zn]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
GAA P10253 1/20 0.70
HTT P42858 1/20 0.70
CA2 P00918 3/20 0.66
CA5A P35218 1/20 0.66
MMP2 P08253 2/20 0.65
CA1 P00915 1/20 0.65
MMP1 P03956 1/20 0.65
MMP9 P14780 1/20 0.65
MMP8 P22894 1/20 0.65
MMP13 P45452 1/20 0.65
F2 P00734 3/20 0.59
PRSS1 P07477 3/20 0.59
PRSS2 P07478 3/20 0.59
PRSS3 P35030 3/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 4/20 0.58
TSHR P16473 2/20 0.57
DDX3X O00571 1/20 0.54

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
SCHEMBL9471995 0.98 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL6525363 0.98 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL33350 0.98 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL33351 0.98 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL1063227 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
SCHEMBL10474225 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
Water SCHEMBL8747065 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
Ammonia Solution, Strong SCHEMBL9479957 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
Hydrochloric Acid SCHEMBL8975909 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
SCHEMBL28942184 0.96 KMT2A (0.70) KMT2AGAAHTTCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452661-B2 Photothermographic materials incorporating antifoggants CARESTREAM HEALTH, INC. (US) 2008-11-18 US claimed
US-20080206688-A1 PHOTOTHERMOGRAPHIC MATERIALS INCORPORATING ANTIFOGGANTS QUANTUM MEDICAL IMAGING, L.L.C. 2008-08-28 US claimed
US-7452661-B2 Photothermographic materials incorporating antifoggants CARESTREAM HEALTH, INC. (US) 2008-11-18 US disclosed
US-20080206688-A1 PHOTOTHERMOGRAPHIC MATERIALS INCORPORATING ANTIFOGGANTS QUANTUM MEDICAL IMAGING, L.L.C. 2008-08-28 US disclosed