SCHEMBL30947446

SCHEMBL30947446

Cc1ncc(NC(=O)Oc2ccccc2)cc1C#Cc1cnn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CSF1R P07333 3/20 0.40
CYP1A2 P05177 1/20 0.40
PORCN Q9H237 1/20 0.39
KIT P10721 3/20 0.39
DDR1 Q08345 3/20 0.39
FAAH O00519 6/20 0.39

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
SCHEMBL30947448 0.85 GAA (0.43) HAO1GAANPSR1ALDH1A1MAPT
SCHEMBL3585208 0.77 LCK (0.43) GAAALDH1A1MAPTCYP1A2
SCHEMBL15890215 0.76 ALDH1A1 (0.55) GAANPSR1ALDH1A1MAPTCYP1A2
SCHEMBL29236449 0.74 HAO1 (0.39) HAO1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23240248 0.73 POLB (0.59) GAAALDH1A1MAPTCYP1A2PORCN
SCHEMBL30933206 0.73 ALDH1A1 (0.59) GAAALDH1A1MAPTCYP1A2PORCN
SCHEMBL30801384 0.73 HAO1 (0.41) HAO1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29716375 0.73 POLB (0.59) GAAALDH1A1MAPTCYP1A2PORCN
SCHEMBL896472 0.72 SPR (0.48) GAANPSR1ALDH1A1MAPTCYP1A2
SCHEMBL29739583 0.72 POLB (0.57) GAANPSR1ALDH1A1MAPTCYP1A2

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-2024125437-A1 GSPT1 DEGRADATION AGENT AND USE THEREOF 南京圣和药业股份有限公司 2024-06-20 WO disclosed