SCHEMBL7511032

SCHEMBL7511032

COC(=O)c1cc2oc(C#N)cc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
LMNA P02545 2/20 0.57
ABCB11 O95342 2/20 0.56
TP53 P04637 1/20 0.51
CCR2 P41597 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL7505898 0.87 ABCB11 (0.70) ABCB11CCR2
SCHEMBL7679550 0.86 MAPT (0.62) MAPTLMNAABCB11TP53CCR2
SCHEMBL7680923 0.84 ABCB11 (0.65) MAPTLMNAABCB11TP53CCR2
SCHEMBL7681355 0.83 MAPT (0.61) MAPTLMNAABCB11TP53CCR2
SCHEMBL7676152 0.82 MAPT (0.58) MAPTLMNAABCB11TP53CCR2
SCHEMBL7508693 0.82 MAPT (0.60) MAPTLMNAABCB11TP53CCR2
SCHEMBL7683084 0.80 MAPT (0.61) MAPTLMNAABCB11TP53CCR2
SCHEMBL7517302 0.79 MAPT (0.80) MAPTLMNAABCB11TP53SMN1; SMN2
SCHEMBL7682571 0.76 ABCB11 (0.73) ABCB11CCR2
SCHEMBL7701288 0.76 MAPT (0.76) MAPTLMNAABCB11TP53SMN1; SMN2

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