SCHEMBL31106918

SCHEMBL31106918

CSc1cccc(C[C@H](N)C(=O)N(C)[C@H](C)[C@H](O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
NPY5R Q15761 9/20 0.42
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPY2R P49146 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL1856451 0.82 NPY5R (0.59) GAANPY5RAOC3MEN1KMT2A
SCHEMBL1856448 0.82 NPY5R (0.59) GAANPY5RAOC3MEN1KMT2A
SCHEMBL3278306 0.80 GAA (0.50) GAANPY5RAOC3ALDH1A1KDM4E
SCHEMBL3278311 0.80 GAA (0.50) GAANPY5RAOC3ALDH1A1KDM4E
SCHEMBL3278315 0.80 GAA (0.50) GAANPY5RAOC3ALDH1A1KDM4E
SCHEMBL2777441 0.76 SLC7A5 (0.59) KDM4EHIF1A
SCHEMBL2777443 0.76 SLC7A5 (0.59) KDM4EHIF1A
Hydrochloric Acid SCHEMBL6775489 0.74 SLC7A5 (0.57) KDM4EHIF1A
Hydrochloric Acid SCHEMBL6775486 0.74 SLC7A5 (0.57) KDM4EHIF1A
SCHEMBL1863945 0.73 GAA (0.45) GAANPY5RMEN1KMT2AALDH1A1

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-118684605-A Preparation of ritgasan Process for the preparation of intermediates 山东新时代药业有限公司 2024-09-24 CN disclosed