SCHEMBL29956074

SCHEMBL29956074

COc1c(NC(=O)C(C)(C)C)ccnc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
LMNA P02545 3/20 0.38
TOP2A P11388 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX12 P18054 1/20 0.37
CETP P11597 1/20 0.37
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
F2 P00734 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL16377909 0.78 KDM4E (0.39) KDM4ELMNATOP2AL3MBTL1ALOX12
SCHEMBL16856823 0.74 LMNA (0.44) KDM4ELMNATOP2AL3MBTL1CETP
SCHEMBL7125030 0.72 L3MBTL1 (0.41) KDM4ELMNATOP2AL3MBTL1CETP
SCHEMBL22500987 0.71 TOP2A (0.48) KDM4ELMNATOP2AL3MBTL1ALOX12
SCHEMBL13524441 0.70 KDM4E (0.40) KDM4ELMNAL3MBTL1ALOX12CETP
SCHEMBL29958183 0.69 L3MBTL1 (0.38) KDM4ELMNATOP2AL3MBTL1ALOX12
SCHEMBL3148153 0.69 LMNA (0.41) KDM4ELMNAL3MBTL1ALOX12CETP
SCHEMBL16857291 0.69 TOP2A (0.38) KDM4ELMNATOP2AL3MBTL1CETP
SCHEMBL16857151 0.69 TOP2A (0.38) KDM4ELMNATOP2AL3MBTL1CETP
SCHEMBL22208034 0.69 LMNA (0.45) KDM4ELMNATOP2AL3MBTL1CETP

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed