SCHEMBL29955868

SCHEMBL29955868

CC(C)(C)C(=O)Nc1ccnc2cc(C=O)oc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
KDM4E B2RXH2 5/20 0.38
TOP2A P11388 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CETP P11597 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
KLF5 Q13887 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL16856823 0.73 LMNA (0.44) LMNAKDM4ETOP2AL3MBTL1CETP
SCHEMBL7125030 0.71 L3MBTL1 (0.41) LMNAKDM4ETOP2AL3MBTL1CETP
SCHEMBL16857291 0.69 TOP2A (0.38) LMNAKDM4ETOP2AL3MBTL1CETP
SCHEMBL29956074 0.69 KDM4E (0.39) LMNAKDM4ETOP2AL3MBTL1CETP
SCHEMBL16857151 0.69 TOP2A (0.38) LMNAKDM4ETOP2AL3MBTL1CETP
SCHEMBL16377909 0.69 KDM4E (0.39) LMNAKDM4ETOP2AL3MBTL1CETP
SCHEMBL16857014 0.69 LMNA (0.34) LMNAKDM4ETOP2AL3MBTL1CETP
SCHEMBL22208034 0.68 LMNA (0.45) LMNAKDM4ETOP2AL3MBTL1CETP
SCHEMBL16856956 0.68 TOP2A (0.38) LMNAKDM4ETOP2AL3MBTL1CETP
SCHEMBL31146097 0.67 L3MBTL1 (0.42) LMNAKDM4ETOP2AL3MBTL1CETP

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