SCHEMBL29956658

SCHEMBL29956658

O=Cc1c(N2CCOCC2)nc2ccccn2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
MAPT P10636 7/20 0.77
POLB P06746 3/20 0.77
GFER P55789 1/20 0.77
ALDH1A1 P00352 8/20 0.77
L3MBTL1 Q9Y468 4/20 0.77
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.66
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HPGD P15428 3/20 0.62
ALOX12 P18054 1/20 0.62
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PRKDC P78527 1/20 0.54

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
SCHEMBL29957473 0.88 ALDH1A1 (0.97) GAAMAPTPOLBGFERALDH1A1
SCHEMBL15331618 0.87 ALDH1A1 (1.00) GAAMAPTPOLBGFERALDH1A1
SCHEMBL29957359 0.87 ALDH1A1 (1.00) GAAMAPTPOLBGFERALDH1A1
SCHEMBL15330999 0.85 POLB (0.97) GAAMAPTPOLBGFERALDH1A1
SCHEMBL29955490 0.85 ALDH1A1 (0.77) GAAMAPTPOLBGFERALDH1A1
SCHEMBL15331137 0.82 ALDH1A1 (0.73) GAAMAPTPOLBGFERALDH1A1
SCHEMBL2574902 0.82 GAA (0.69) GAAMAPTPOLBGFERALDH1A1
SCHEMBL15330345 0.81 KMT2A (0.76) GAAMAPTPOLBGFERALDH1A1
SCHEMBL29953918 0.80 ALDH1A1 (1.00) GAAMAPTPOLBGFERALDH1A1
SCHEMBL2556855 0.79 GAA (1.00) GAAMAPTPOLBGFERALDH1A1

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