SCHEMBL21697141

SCHEMBL21697141

COc1ccc(-c2ccc(CNC=O)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
ERN1 O75460 3/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP2A6 P11509 1/20 0.44
HDAC1 Q13547 1/20 0.44
KDR P35968 2/20 0.43
NAAA Q02083 1/20 0.43
TEK Q02763 1/20 0.43
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
CYP11B1 P15538 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
SCHEMBL1844195 0.81 MKNK1 (0.50) MKNK1MKNK2NPC1LMNAPKM
SCHEMBL13618882 0.76 MKNK1 (0.54) MKNK1MKNK2NPC1LMNAPKM
SCHEMBL31174412 0.75 CYP2A6 (0.68) MKNK1MKNK2ERN1HSD17B1HSD17B2
SCHEMBL3754419 0.75 CYP2A6 (0.68) MKNK1MKNK2ERN1HSD17B1HSD17B2
SCHEMBL12516033 0.74 NAAA (0.56) MKNK1MKNK2NPC1LMNAPKM
SCHEMBL4389483 0.74 MKNK1 (0.53) MKNK1MKNK2NPC1LMNAPKM
SCHEMBL6213489 0.74 MKNK1 (0.57) MKNK1MKNK2ERN1HSD17B1HSD17B2
SCHEMBL3059303 0.74 MKNK1 (0.57) MKNK1MKNK2NPC1LMNAPKM
SCHEMBL14466730 0.73 MKNK1 (0.51) MKNK1MKNK2NPC1LMNAPKM
SCHEMBL1842380 0.72 MKNK1 (0.55) MKNK1MKNK2NPC1LMNAPKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 EP disclosed