SCHEMBL3034692

SCHEMBL3034692

O=[N+]([O-])c1ccc(O)c(CS(=O)(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
GPR35 Q9HC97 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 2/20 0.51
THRB P10828 1/20 0.51
CTSB P07858 1/20 0.51
ERN1 O75460 1/20 0.49
APP P05067 1/20 0.48
NOX4 Q9NPH5 1/20 0.47
ALOX15 P16050 1/20 0.46
NT5E P21589 1/20 0.46
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.43

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
SCHEMBL3009943 0.98 TSHR (0.51) TSHRGPR35ALDH1A1TP53HPGD
Water SCHEMBL3012137 0.97 TSHR (0.50) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL8012475 0.86 GAA (0.56) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL3009938 0.86 GPR35 (0.53) TSHRGPR35ALDH1A1TP53HPGD
Water SCHEMBL3012136 0.85 GPR35 (0.51) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL19742607 0.85 GAA (0.54) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL7808995 0.85 GPR35 (0.51) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL11308302 0.83 GAA (0.51) TSHRGPR35ALDH1A1GAATHRB
SCHEMBL51277 0.82 GPR35 (0.60) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL25252499 0.81 CYP1A2 (0.44) TSHRGPR35ALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100209953-A1 METHOD OF DETERMINING CARBONIC ANHYDRASE I ACTIVITY YAMASA CORPORATION (JP) 2010-08-19 US claimed
US-20100209953-A1 METHOD OF DETERMINING CARBONIC ANHYDRASE I ACTIVITY YAMASA CORPORATION (JP) 2010-08-19 US disclosed
US-20100209953-A1 METHOD OF DETERMINING CARBONIC ANHYDRASE I ACTIVITY YAMASA CORPORATION (JP) 2010-08-19 US disclosed
US-20070196885-A1 Method of determining carbonic anhydrase i activity YAMASA CORPORATION (JP) 2007-08-23 US disclosed
EP-1734132-A1 METHOD OF DETERMINING CARBONIC ANHYDRASE I ACTIVITY YAMASA CORPORATION (JP) 2006-12-20 EP disclosed