SCHEMBL24658372

SCHEMBL24658372

CC[C@H]1C[C@H](NC(=O)CC#N)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MCL1 Q07820 4/20 0.46
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
KDM5A P29375 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 4/20 0.32
HTR2A P28223 4/20 0.32
DRD3 P35462 4/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL25117764 0.85 KMT2A (0.54) KMT2AMCL1GAAPOLBTDP1
SCHEMBL24658468 0.81 KMT2A (0.51) KMT2AMCL1GAAPOLBTDP1
SCHEMBL23570845 0.77 KMT2A (0.51) KMT2AMCL1GAAPOLBTDP1
SCHEMBL24658658 0.77 HPGD (0.34) KMT2AGAAALDH1A1L3MBTL1HPGD
SCHEMBL1963069 0.77
SCHEMBL14631213 0.74 ALDH1A1 (0.33) ALDH1A1KDM4EL3MBTL1HPGDEPHX1
SCHEMBL12424282 0.74 KMT2A (0.60) KMT2AMCL1GAAPOLBTDP1
SCHEMBL15797043 0.73 KMT2A (0.70) KMT2AMCL1GAAPOLBTDP1
SCHEMBL6322623 0.73 KMT2A (0.70) KMT2AMCL1GAAPOLBTDP1
SCHEMBL24658686 0.73 MAOA (0.39) KMT2AGAAALDH1A1HPGDEPHX1

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
WO-2022173756-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2022-08-18 WO disclosed