SCHEMBL28765728

SCHEMBL28765728

CCCCC(Cl)OS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Cl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HCAR3 P49019 9/20 0.40
▸ VCAM1 P19320 2/20 0.38
▸ TPMT P51580 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ TSHR P16473 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
SCHEMBL11802836 0.76 GAA (0.57) GAAMAPTHCAR3VCAM1
SCHEMBL27899596 0.75 KMT2A (0.45) GAAVCAM1
SCHEMBL7826598 0.74 VCAM1 (0.49) GAAMAPTHCAR3VCAM1TPMT
SCHEMBL135289 0.72 CASP6 (0.47) GAAMAPTHCAR3VCAM1TPMT
Methylamine SCHEMBL11877019 0.71 TSHR (0.44) GAAMAPTHCAR3VCAM1TPMT
SCHEMBL31108456 0.71 ALDH1A1 (0.57) HCAR3VCAM1TPMTTSHR
SCHEMBL573259 0.71 ALDH1A1 (0.57) HCAR3VCAM1TPMTTSHR
SCHEMBL11847710 0.70 HCAR3 (0.47) GAAMAPTHCAR3VCAM1TPMT
SCHEMBL573520 0.70 HCAR3 (0.47) GAAMAPTHCAR3VCAM1TPMT
SCHEMBL30241160 0.69 MAPT (0.44) GAAMAPTHCAR3VCAM1TPMT

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
CN-100494172-C Method of preparing 2-chloro-3-nitro-5-carboxyl benzenesulfonamide SUZHOU LIXIN PHARMACY CO LTD (CN) 2009-06-03 — — CN claimed
CN-101033206-A Method of preparing 2-chloro-3-nitro-5-carboxyl benzenesulfonamide SUZHOU LIXIN PHARMACY CO LTD (CN) 2007-09-12 — — CN claimed
CN-100494172-C Method of preparing 2-chloro-3-nitro-5-carboxyl benzenesulfonamide SUZHOU LIXIN PHARMACY CO LTD (CN) 2009-06-03 — — CN disclosed
CN-101033206-A Method of preparing 2-chloro-3-nitro-5-carboxyl benzenesulfonamide SUZHOU LIXIN PHARMACY CO LTD (CN) 2007-09-12 — — CN disclosed
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