SCHEMBL4580867

SCHEMBL4580867

O=[N+]([O-])c1ccccc1S(=O)(=O)O.[Zn]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
MMP1 P03956 1/20 0.62
MMP2 P08253 1/20 0.62
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62
MMP13 P45452 1/20 0.62
F2 P00734 3/20 0.57
PRSS1 P07477 3/20 0.57
PRSS2 P07478 3/20 0.57
PRSS3 P35030 3/20 0.57
THRB P10828 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
PKM P14618 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
CYP19A1 P11511 1/20 0.47

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
SCHEMBL9754556 0.98 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL151052 0.98 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL63933 0.98 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
Fluoride SCHEMBL11758885 0.96 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL8402998 0.96 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL29235207 0.96 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL3749170 0.96 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
Ammonia Solution, Strong SCHEMBL7053051 0.96 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL27730310 0.96 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL27903458 0.96 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1

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