SCHEMBL24634204

SCHEMBL24634204

CC(C)n1ccc(-c2sc3nc(-c4nccn4C)nc(O)c3c2-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.39
▸ DYRK1A Q13627 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29771025 1.00 HPGD (0.39) HPGDDYRK1ANPC1ALDH1A1POLB
SCHEMBL24128025 0.89 HPGD (0.44) HPGDDYRK1ANPC1ALDH1A1POLB
SCHEMBL29720605 0.89 HPGD (0.42) HPGDDYRK1ANPC1ALDH1A1POLB
SCHEMBL24128030 0.89 HPGD (0.42) HPGDDYRK1ANPC1ALDH1A1POLB
SCHEMBL24127991 0.88 HPGD (0.38) HPGDDYRK1ASMN1; SMN2
SCHEMBL24128140 0.87 DYRK1A (0.35) HPGDDYRK1ANPC1
SCHEMBL20665496 0.85 HPGD (0.45) HPGDNPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL29770878 0.83 HPGD (0.38) HPGD
SCHEMBL24634106 0.83 HPGD (0.38) HPGD
SCHEMBL20665861 0.80 ALDH1A1 (0.46) HPGDNPC1ALDH1A1POLBSMN1; SMN2

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-2022164997-A1 METHODS FOR THE TREATMENT OF FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2022-08-04 — — WO disclosed
Send feedback