SCHEMBL29953918

SCHEMBL29953918

Cc1ccc2nc(N3CCOCC3)c(C=O)c(=O)n2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
KMT2A Q03164 6/20 0.76
MEN1 O00255 5/20 0.76
GAA P10253 3/20 0.69
MAPT P10636 3/20 0.66
KDM4E B2RXH2 3/20 0.66
HTT P42858 1/20 0.66
POLB P06746 2/20 0.51
GFER P55789 1/20 0.51
HPGD P15428 2/20 0.49
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL29951842 0.88 ALDH1A1 (1.00) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL29956904 0.88 ALDH1A1 (1.00) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL15330884 0.86 KMT2A (1.00) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL15332922 0.84 ALDH1A1 (0.76) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL29956658 0.80 GAA (1.00) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL30768051 0.79 ALDH1A1 (0.65) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL30768027 0.79 ALDH1A1 (0.65) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL2214575 0.75 ALDH1A1 (0.78) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL2217197 0.73 KDM4E (0.60) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL30216942 0.72 PRKDC (0.64) ALDH1A1L3MBTL1

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