SCHEMBL28513145

SCHEMBL28513145

CCOC(=O)CCC(NC(=O)c1ncc(NC(=O)CCl)cc1C)C(=O)OCC.O=C(Cl)CCl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
FPR2 P25090 2/20 0.43
DHFR P00374 3/20 0.35
XDH P47989 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CCKBR P32239 1/20 0.34
NOD2 Q9HC29 2/20 0.34

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
SCHEMBL21515134 0.97 KDM4E (0.50) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28516903 0.92 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21515131 0.89 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21515060 0.88 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21515185 0.85 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30387503 0.85 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28501774 0.80 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23005252 0.79 FPR2 (0.63) KDM4EHPGDFPR2
SCHEMBL23005249 0.79 FPR2 (0.63) KDM4EHPGDFPR2
SCHEMBL21515049 0.79 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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-112218858-A 2, 6-diamino-3, 4-dihydropyrimidin-4-one derivatives and their use in therapy 托马斯·黑勒戴药物研究基金会 2021-01-12 CN disclosed