SCHEMBL29954513

SCHEMBL29954513

CCCCNC(=O)COc1ccc(Cl)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
ALOX12 P18054 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 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
SCHEMBL15331042 0.93 NPSR1 (0.54) NPSR1L3MBTL1TP53MAPTHTT
SCHEMBL2551375 0.88 LMNA (0.61) NPSR1L3MBTL1TP53MAPTHTT
SCHEMBL2554750 0.87 ALDH1A1 (0.57) NPSR1MAPTLMNAALDH1A1KMT2A
SCHEMBL2562336 0.85 HPGD (0.60) NPSR1L3MBTL1TP53MAPTHTT
SCHEMBL18214519 0.85 LMNA (0.68) NPSR1L3MBTL1TP53LMNAALDH1A1
SCHEMBL2560820 0.84 NPSR1 (0.51) NPSR1L3MBTL1TP53MAPTHTT
SCHEMBL29951786 0.84 KDM4E (0.66) L3MBTL1MAPTLMNAALDH1A1KMT2A
SCHEMBL2554386 0.83 NPSR1 (0.49) NPSR1L3MBTL1TP53MAPTHTT
SCHEMBL29950848 0.82 KMT2A (0.62) NPSR1MAPTHTTALDH1A1KMT2A
SCHEMBL15330964 0.82 ALDH1A1 (0.56) NPSR1MAPTALDH1A1KMT2AMEN1

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