SCHEMBL29951440

SCHEMBL29951440

O=Cc1ccc2ncccc2c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.64
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
KDM4E B2RXH2 2/20 0.59
HSP90AA1 P07900 2/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
IDO1 P14902 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 2/20 0.56
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
HSP90AB1 P08238 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 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
SCHEMBL29955644 0.79 ERN1 (0.59) ERN1KMT2AMEN1KDM4EHSP90AA1
SCHEMBL11504978 0.79 ERN1 (0.59) ERN1KMT2AMEN1KDM4EHSP90AA1
SCHEMBL29956480 0.78 KDM4E (0.58) ERN1KMT2AMEN1KDM4EHSP90AA1
SCHEMBL1071836 0.78 KDM4E (0.58) ERN1KMT2AMEN1KDM4EHSP90AA1
SCHEMBL10547808 0.78 ERN1 (1.00) ERN1KMT2AMEN1KDM4EHSP90AA1
SCHEMBL6571673 0.78 KDM4E (0.52) ERN1KMT2AMEN1KDM4EHSP90AA1
SCHEMBL6571662 0.78 KDM4E (0.52) ERN1KMT2AMEN1KDM4EHSP90AA1
SCHEMBL3155534 0.78 KDM4E (0.62) ERN1KMT2AMEN1KDM4EHSP90AA1
SCHEMBL1161054 0.77 KDM4E (0.56) ERN1KMT2AMEN1KDM4EHSP90AA1
SCHEMBL3409403 0.77 KDM4E (0.56) ERN1KMT2AMEN1KDM4EHSP90AA1

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