SCHEMBL29953502

SCHEMBL29953502

CCCCNC(=O)C(C)Oc1cccc(Cl)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 1/20 0.41
NR5A1 Q13285 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL15331916 0.93 SMN1; SMN2 (0.46) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL15331072 0.88 SMN1; SMN2 (0.57) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL2560358 0.86 HPGD (0.61) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL2560443 0.84 SMN1; SMN2 (0.44) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL15333360 0.83 SMN1; SMN2 (0.43) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL2556257 0.82 HPGD (0.46) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL15332029 0.81 L3MBTL1 (0.46) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL29956654 0.81 HPGD (0.44) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL29950819 0.81 GAA (0.47) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL2559424 0.80 L3MBTL1 (0.46) MEN1KMT2AMAPTLMNAL3MBTL1

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