SCHEMBL24377053

SCHEMBL24377053

CC(C)(C)[Si](C)(C)Oc1ccc(C2(Cl)C(=O)Nc3c(C(F)(F)F)cccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.35
PREP P48147 2/20 0.33
CES1 P23141 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
ACHE P22303 1/20 0.32
PARP1 P09874 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL24377052 0.85 PDE7A (0.35) PDE7APREPCES1L3MBTL1CA12
SCHEMBL31003737 0.82 PDE7A (0.39) PDE7ACES1ACHE
SCHEMBL31355605 0.80 PREP (0.34) PREPCA12CA1CA9
SCHEMBL31003677 0.78 ADAM17 (0.38) PDE7APREPL3MBTL1
SCHEMBL31184980 0.76 PDE7A (0.31) PDE7APREPL3MBTL1
SCHEMBL23973910 0.68 PDE7A (0.39) PDE7ACES1ACHE
SCHEMBL24377411 0.68 PDE7A (0.39) PDE7ACES1ACHE
SCHEMBL22111804 0.67 CNR1 (0.43) PDE7ACES1ACHE
SCHEMBL5656464 0.67 MAPT (0.59) PREPCA12CA1CA9
SCHEMBL22111802 0.65 PDE7A (0.39) PDE7ACES1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812517-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2024-10-22 CN disclosed
WO-2022087234-A1 ANTICANCER COMPOUNDS SELECTIVE FOR ER-POSITIVE CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-04-28 WO disclosed