SCHEMBL29956904

SCHEMBL29956904

Cc1ccc2nc(N3CCCCC3)c(C=O)c(=O)n2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
KMT2A Q03164 6/20 0.80
MEN1 O00255 5/20 0.80
L3MBTL1 Q9Y468 3/20 0.78
MAPT P10636 5/20 0.69
KDM4E B2RXH2 3/20 0.69
HTT P42858 2/20 0.69
GAA P10253 2/20 0.69
POLB P06746 2/20 0.52
GFER P55789 1/20 0.50
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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 1.00 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL15330884 0.89 KMT2A (1.00) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL29953918 0.88 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL15332922 0.86 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL32687971 0.84 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL29957359 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL15331618 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL29957473 0.77 ALDH1A1 (0.97) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL27122888 0.77 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL2217197 0.75 KDM4E (0.60) ALDH1A1KMT2AMEN1L3MBTL1MAPT

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