SCHEMBL7808995

SCHEMBL7808995

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSB P07858 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
NOX4 Q9NPH5 1/20 0.49
ERN1 O75460 1/20 0.47
APP P05067 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL8012475 0.85 GAA (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL3009938 0.85 GPR35 (0.53) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL3034692 0.85 TSHR (0.53) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL3009943 0.83 TSHR (0.51) GPR35ALDH1A1TP53HPGDTSHR
Water SCHEMBL3012136 0.83 GPR35 (0.51) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL19742607 0.83 GAA (0.54) GPR35ALDH1A1TP53HPGDTSHR
Water SCHEMBL3012137 0.82 TSHR (0.50) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL28013151 0.81 GPR35 (0.53) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL131912 0.81 GPR35 (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL51277 0.80 GPR35 (0.60) GPR35ALDH1A1TP53HPGDTSHR

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-1117689-A1 BONE MORPHOGENETIC PROTEIN ANTAGONISTS BASED ON THE MATURE PROTEIN BIOPHARM GESELLSCHAFT ZUR BIOTECHNOLOGISCHEN ENTWICKLUNG VON PHARMAKA mbH (DE) 2001-07-25 EP disclosed
WO-2000021998-A1 BONE MORPHOGENETIC PROTEIN ANTAGONIST BASED ON THE MATURE PROTEIN BIOPHARM GESELLSCHAFT ZUR BIOTECHNOLOGISCHEN ENTWICKLUNG VON PHARMAKA MBH (DE) 2000-04-20 WO disclosed