SCHEMBL30895153

SCHEMBL30895153

C[C@@H](C(=O)O)N(N)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
TBXAS1 P24557 2/20 0.41
GAA P10253 3/20 0.41
KCNA5 P22460 2/20 0.41
ALDH1A1 P00352 1/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL16876656 1.00 HTT (0.42) HTTTBXAS1GAAKCNA5ALDH1A1
SCHEMBL16585492 0.82 HTT (0.43) HTTTBXAS1GAAKCNA5ALDH1A1
SCHEMBL16585493 0.82 HTT (0.43) HTTTBXAS1GAAKCNA5ALDH1A1
SCHEMBL7754416 0.81 F7 (0.45) HTTTBXAS1GAAKCNA5ALDH1A1
SCHEMBL2721666 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1983878 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL2011663 0.81 HTT (0.42) HTTTBXAS1GAAKCNA5ALDH1A1
SCHEMBL2011662 0.81 HTT (0.42) HTTTBXAS1GAAKCNA5ALDH1A1
SCHEMBL30895156 0.80 CHRM5 (0.39) HTTCYP3A4CYP2C19KDM4EAKR1C3
SCHEMBL7769274 0.79 HTT (0.44) HTTTBXAS1GAAKCNA5ALDH1A1

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-118019768-A Targeted delivery of therapeutic enzymes 吉尼瑞姆股份公司 2024-05-10 CN disclosed