SCHEMBL11668407

SCHEMBL11668407

[N-]=[N+]=NS(=O)(=O)c1cc(C(=O)O)cc(S(=O)(=O)N=[N+]=[N-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CYP1A2 P05177 1/20 0.42
F2 P00734 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
TPMT P51580 3/20 0.36
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA3 P07451 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9241270 0.83 F2 (0.60) F2PRSS1PRSS2PRSS3CA1
Ammonia Solution, Strong SCHEMBL11668387 0.82 F2 (0.59) F2PRSS1PRSS2PRSS3CA1
Ammonia Solution, Strong SCHEMBL11668391 0.82 F2 (0.59) F2PRSS1PRSS2PRSS3CA1
SCHEMBL968758 0.81 F2 (0.56) F2PRSS1PRSS2PRSS3CA1
Hydrochloric Acid SCHEMBL2404045 0.80 F2 (0.54) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10606634 0.79 F2 (0.56) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10609196 0.77 F2 (0.51) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7540750 0.74 APEX1 (0.43) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL11668451 0.74 HSD17B10 (0.40) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL5401910 0.72 CA1 (0.43) F2PRSS1PRSS2PRSS3CA1

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
US-4055701-A Azido-silane compositions UNION CARBIDE CORPORATION (US) 1977-10-25 US disclosed
US-4002651-A Azido-silane compositions UNION CARBIDE CORPORATION (US) 1977-01-11 US disclosed
US-3940427-A Azidosulfonyl compounds UNION CARBIDE CORPORATION (US) 1976-02-24 US disclosed