SCHEMBL29003644

SCHEMBL29003644

CC(=O)c1ccc(CC#CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
LMNA P02545 3/20 0.50
PYCR1 P32322 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACACB O00763 1/20 0.44
MAOB P27338 5/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B1 P14061 1/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 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
SCHEMBL2225820 0.82 ALDH1A1 (0.52) KMT2AHSD17B10MAPTL3MBTL1HPGD
SCHEMBL29003606 0.79 LOXL2 (0.58) KMT2ALMNAHSD17B10MAPTHPGD
SCHEMBL27263454 0.79 KMT2A (0.68) KMT2ALMNAPYCR1HSD17B10ACACB
SCHEMBL9142779 0.78 KMT2A (0.59) KMT2ALMNAPYCR1HSD17B10ACACB
SCHEMBL6859304 0.73 KMT2A (1.00) KMT2ALMNAPYCR1HSD17B10MAOB
SCHEMBL9818052 0.73 KMT2A (0.73) KMT2ALMNAPYCR1HSD17B10MAOB
SCHEMBL50646 0.72 MAPT (0.68) KMT2ALMNAMAPTL3MBTL1HPGD
SCHEMBL8787884 0.72 CYP4F2 (0.56) KMT2ALMNAMAPTL3MBTL1HPGD
SCHEMBL7692352 0.72 KMT2A (0.70) KMT2ALMNAPYCR1HSD17B10MAOB
SCHEMBL334751 0.72 KMT2A (0.70) KMT2ALMNAPYCR1HSD17B10MAOB

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
CN-115947668-A Preparation method of polysubstituted indene derivative 广东工业大学 2023-04-11 CN disclosed