SCHEMBL10652008

SCHEMBL10652008

COC(=O)c1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A6 Q3KNW5 1/20 0.46
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ VCAM1 P19320 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL10656084 0.87 L3MBTL1 (0.51) F2PRSS1PRSS2PRSS3TDP1
SCHEMBL10873626 0.87 SLC10A6 (0.43) SLC10A6F2PRSS1PRSS2PRSS3
SCHEMBL10567805 0.84 SLC10A6 (0.43) SLC10A6F2PRSS1PRSS2PRSS3
SCHEMBL4810290 0.82 SLC10A6 (0.47) SLC10A6F2PRSS1PRSS2PRSS3
SCHEMBL30305428 0.80 SLC10A6 (0.47) SLC10A6F2PRSS1PRSS2PRSS3
SCHEMBL4815932 0.80 SLC10A6 (0.47) SLC10A6F2PRSS1PRSS2PRSS3
SCHEMBL4818765 0.80 CA1 (0.51) SLC10A6F2PRSS1PRSS2PRSS3
SCHEMBL10565319 0.79 ALDH1A1 (0.46) SLC10A6F2PRSS1PRSS2PRSS3
SCHEMBL11398188 0.78 TDP1 (0.56) TDP1POLBCA1CA2VCAM1
SCHEMBL10571766 0.77 NPY5R (0.46) SLC10A6TDP1POLBTHRBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0197386-B1 2-(SUBSTITUTED SULFAMYL) DERIVATIVES OF 6-NITROBENZOIC ACID, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1988-11-02 — — EP claimed
EP-0197386-A1 2-(Substituted sulfamyl) derivatives of 6-nitrobenzoic acid, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-10-15 — — EP claimed
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