SCHEMBL29955869

SCHEMBL29955869

O=Cc1cccc2c(O)ccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MEN1 O00255 3/20 0.56
HSP90AA1 P07900 3/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
IDO1 P14902 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
ERN1 O75460 5/20 0.46
TRIM24 O15164 2/20 0.44
TRIM33 Q9UPN9 2/20 0.44
KDM4A O75164 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42

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
SCHEMBL29950806 0.86 KDM4E (0.75) KDM4EKMT2AL3MBTL1MEN1HSP90AA1
Formamide SCHEMBL9731341 0.82 KDM4E (0.42) KDM4EKMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL30609119 0.82 KDM4E (0.42) KDM4EKMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL9731337 0.80 KDM4E (0.44) KDM4EKMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL21625616 0.79 KDM4E (0.75) KDM4EKMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL1333120 0.77 KDM4E (0.66) KDM4EKMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL30668494 0.77 KDM4E (0.66) KDM4EKMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL1025455 0.76 NR4A2 (0.61) KDM4EKMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL17028204 0.73 KMT2A (0.49) KDM4EKMT2AL3MBTL1MEN1HSP90AA1
SCHEMBL31553579 0.73 CCR1 (0.71) KDM4EKMT2AL3MBTL1MEN1HSP90AA1

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