SCHEMBL3663216

SCHEMBL3663216

NC(=O)c1cccc(-c2ccc(O)nc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.56
CCND1 P24385 1/20 0.56
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
CCNH P51946 1/20 0.56
MNAT1 P51948 1/20 0.56
CDK6 Q00534 1/20 0.56
ERN1 O75460 3/20 0.54
FYN P06241 6/20 0.51
FLT1 P17948 2/20 0.51
CHEK2 O96017 2/20 0.51
LIMK1 P53667 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
MAPK13 O15264 1/20 0.51
PDPK1 O15530 1/20 0.51

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
SCHEMBL29476743 0.84 MKNK1 (0.68) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL12269997 0.83 CCNT1 (0.55) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL3636687 0.81 CCNT1 (0.53) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL31422694 0.80 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL2431097 0.80 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL1346081 0.80 ERN1 (0.57) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL29724745 0.80 CCNT1 (0.58) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL14936808 0.80 CCNT1 (0.58) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL3662920 0.79 MKNK1 (0.71) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL3664142 0.79 FYN (0.57) CCNT1CCND1CCNCCDK8CDK7

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
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed