SCHEMBL28906090

SCHEMBL28906090

CCOC(=O)c1c[nH]c2ccc(NCC(C)N)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.61
GABRB2 P47870 4/20 0.61
GABRB1 P18505 3/20 0.60
GABRA3 P34903 3/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CLEC4M Q9H2X3 1/20 0.46

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
SCHEMBL23947945 1.00 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL30272542 1.00 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL23924262 0.85 KDM4E (0.52) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL29877091 0.85 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL28906065 0.85 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL22886419 0.85 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL23947944 0.83 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL30272541 0.83 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL30279480 0.83 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL28906076 0.83 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290333-A Novel inhibitors of gonorrhoeae-specific tyrosine phosphatase (LYP) 普渡研究基金会 2024-07-05 CN disclosed
CN-115461056-B Inhibitors of Lebaba-specific tyrosine phosphatase (LYP) 普渡研究基金会 2024-04-16 CN disclosed
CN-115461056-A Novel lymphoid specific tyrosine phosphatase (LYP) inhibitors 普渡研究基金会 2022-12-09 CN disclosed