SCHEMBL3662920

SCHEMBL3662920

COc1ccc(-c2cccc(C(N)=O)c2)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.71
MKNK2 Q9HBH9 1/20 0.71
HSD17B1 P14061 1/20 0.61
HSD17B2 P37059 1/20 0.61
NNMT P40261 2/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
FYN P06241 4/20 0.55
CCNT1 O60563 1/20 0.51
CCND1 P24385 1/20 0.51
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51
MNAT1 P51948 1/20 0.51
CDK6 Q00534 1/20 0.51
CHEK2 O96017 2/20 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
SCHEMBL2224294 0.89 FYN (0.72) MKNK1MKNK2FYNCHEK2KCNH2
SCHEMBL19127315 0.87 HSD17B1 (0.62) MKNK1MKNK2HSD17B1HSD17B2MEN1
SCHEMBL1417104 0.85 MKNK1 (0.55) MKNK1MKNK2HSD17B1HSD17B2NNMT
SCHEMBL1417105 0.84 MEN1 (0.81) MKNK1MKNK2MEN1KMT2AKEAP1
SCHEMBL15849565 0.83 HSD17B2 (0.58) MKNK1MKNK2HSD17B1HSD17B2MEN1
SCHEMBL13702343 0.83 MEN1 (0.63) MKNK1MKNK2HSD17B1HSD17B2MEN1
SCHEMBL3657605 0.82 FYN (0.57) MKNK1MKNK2FYNCCNT1CCND1
SCHEMBL13702112 0.81 MEN1 (0.61) MKNK1MKNK2HSD17B1HSD17B2MEN1
SCHEMBL12269997 0.81 CCNT1 (0.55) MKNK1MKNK2FYNCCNT1CCND1
SCHEMBL1570122 0.81 MKNK1 (0.68) MKNK1MKNK2HSD17B1HSD17B2NNMT

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 3 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
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