SCHEMBL29952569

SCHEMBL29952569

O=Cc1ccccc1NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
MAPT P10636 3/20 0.56
GAA P10253 2/20 0.56
IDO1 P14902 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 4/20 0.44
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CSNK2B P67870 1/20 0.40

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
SCHEMBL27848349 0.81 KDM4E (0.51) KDM4EMAPTGAAIDO1KMT2A
SCHEMBL29449726 0.80 KDM4E (0.73) KDM4EMAPTGAAIDO1KMT2A
SCHEMBL20336230 0.80 KDM4E (0.73) KDM4EMAPTGAAIDO1KMT2A
SCHEMBL11523761 0.80 KDM4E (0.73) KDM4EMAPTGAAIDO1KMT2A
SCHEMBL4495740 0.80 KDM4E (0.73) KDM4EMAPTGAAIDO1KMT2A
SCHEMBL25920707 0.80 KDM4E (0.49) KDM4EMAPTGAAIDO1KMT2A
SCHEMBL11521138 0.78 KDM4E (0.69) KDM4EMAPTGAAIDO1KMT2A
SCHEMBL7435270 0.75 KDM4E (0.65) KDM4EMAPTGAAKMT2AALDH1A1
SCHEMBL23937823 0.72 KDM4E (0.43) KDM4EMAPTGAAIDO1LMNA
SCHEMBL17874938 0.72 KDM4E (1.00) KDM4EMAPTGAAIDO1KMT2A

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