SCHEMBL19911577

SCHEMBL19911577

[N-]=[N+]=NS(=O)(=O)n1nnc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MGAM O43451 2/20 0.36
AMY1A P0DUB6 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
NSD2 O96028 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
NAMPT P43490 1/20 0.34
XDH P47989 1/20 0.34
ATM Q13315 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
SCHEMBL19911540 0.90 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1MGAMAMY1A
SCHEMBL19848610 0.79 KDM4E (0.40) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL19911603 0.79 SLC9A1 (0.33) KMT2AMEN1CA2L3MBTL1
SCHEMBL19848218 0.79 SLC9A1 (0.42) ALDH1A1KMT2AMEN1MGAMAMY1A
SCHEMBL19911575 0.79 MGAM (0.43) FGFR1ALDH1A1KMT2AMEN1MGAM
SCHEMBL19911388 0.78 FGFR1 (0.48) FGFR1ALDH1A1KMT2AMEN1GAA
SCHEMBL19915687 0.76 PKM (0.40) L3MBTL1
SCHEMBL19911527 0.76 SMN1; SMN2 (0.46) ALDH1A1MGAMAMY1AGAASI
SCHEMBL18263627 0.76 SLC9A1 (0.54) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL19911567 0.74 SLC9A1 (0.61) FGFR1ALDH1A1KMT2AMEN1MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 FGFR1 1543/4885ALDH1A1 3497/4885KMT2A 458/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.