SCHEMBL29956582

SCHEMBL29956582

Cc1ccc2nc(N(C)C)c(C=O)c(=O)n2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 11/20 0.53
HPGD P15428 4/20 0.53
MAPT P10636 6/20 0.49
GAA P10253 3/20 0.49
HTT P42858 1/20 0.49
HCRTR1 O43613 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALB P02768 1/20 0.37

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
SCHEMBL29955368 0.85 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2217197 0.79 KDM4E (0.60) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2230037 0.78 MAPT (0.62) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL21352392 0.75 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL29954788 0.74 MAPT (0.65) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL29956904 0.73 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL29951842 0.73 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL29954347 0.72 HPGD (0.77) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL15330884 0.72 KMT2A (1.00) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL29953918 0.71 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AL3MBTL1KDM4E

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