SCHEMBL7094473

SCHEMBL7094473

COc1cccc(C(C=O)c2cccc(Cl)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.43
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CASR P41180 1/20 0.37
PFKFB3 Q16875 1/20 0.36
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7097655 0.86 NFE2L2 (0.44) NFE2L2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7150847 0.83 NFE2L2 (0.39) NFE2L2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL1515778 0.76 CHRM2 (0.48) CHRM2CHRM1CHRM3L3MBTL1CASR
SCHEMBL6503892 0.74 ROCK2 (0.47) NFE2L2CHRM2CHRM1CHRM3ROCK2
SCHEMBL1515839 0.72 KCNA5 (0.47) NFE2L2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL1515892 0.71 NFE2L2 (0.49) NFE2L2CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL7450991 0.71 CHRM2 (0.47) CHRM2CHRM1CHRM3L3MBTL1MEN1
SCHEMBL27894882 0.71 CHRM2 (0.49) CHRM2CHRM1CHRM3SMN1; SMN2L3MBTL1
SCHEMBL2558825 0.71 CHRM2 (0.51) CHRM2CHRM1CHRM3SMN1; SMN2L3MBTL1
SCHEMBL7506748 0.70 GRM5 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1

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-1366048-A2 PYRAZOLOPYRIDINE DERIVATIVES SmithKline Beecham Corporation (US) 2003-12-03 EP disclosed
WO-2002072581-A2 PYRAZOLOPYRIADINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-09-19 WO disclosed