SCHEMBL7516484

SCHEMBL7516484

COC(=O)c1cc2occc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
CCR2 P41597 1/20 0.46
TP53 P04637 2/20 0.45
THRB P10828 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL7674077 0.86 CCR2 (0.62) MAPTTSHRCCR2
SCHEMBL6963990 0.79 CCR2 (0.74) MAPTALDH1A1CCR2
SCHEMBL6964954 0.78 CCR2 (0.56) CCR2
SCHEMBL6595442 0.77 CCR2 (0.55) ALDH1A1TSHRCCR2
SCHEMBL6960221 0.76 CCR2 (0.51) MAPTALDH1A1TSHRCCR2
SCHEMBL6953247 0.74 CCR2 (0.48) ALDH1A1TSHRCCR2
SCHEMBL7517302 0.74 MAPT (0.80) MAPTALDH1A1TSHRTP53THRB
SCHEMBL7049774 0.73 SLC6A2 (0.42) MAPTALDH1A1TSHRCCR2SMN1; SMN2
SCHEMBL6598140 0.70 CCR2 (0.54) CCR2
SCHEMBL12499937 0.70 KDM1A (0.59) MAPTALDH1A1TSHRTP53THRB

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
EP-1056451-B1 BICYCLIC PYRROLE DERIVATIVES AS MCP-1 INHIBITORS ASTRAZENECA UK LTD (GB) 2002-11-13 EP disclosed
US-6479527-B1 Bicyclic pyrrole derivatives as MCP-1 inhibitors ASTRAZENECA UK LIMITED (GB) 2002-11-12 US disclosed
EP-1056451-A1 BICYCLIC PYRROLE DERIVATIVES AS MCP-1 INHIBITORS AstraZeneca UK Limited (GB) 2000-12-06 EP disclosed
WO-1999040914-A1 BICYCLIC PYRROLE DERIVATIVES AS MCP-1 INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed