SCHEMBL29686599

SCHEMBL29686599

O=C(O)NC12CC(C3=NN=NC3(c3ccc(Cl)cc3)c3ccc(Cl)cc3)(C1)C2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 4/20 0.35
▸ HDAC4 P56524 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
SCHEMBL22362680 0.79 ATF4 (0.44) ATF4HDAC4
SCHEMBL21220171 0.64 MEN1 (0.40) HDAC4
SCHEMBL22614325 0.63 POLB (0.43) —
SCHEMBL29686842 0.63 RAB9A (0.46) —
SCHEMBL22613807 0.63 CDH1 (0.48) —
SCHEMBL25386467 0.63 PKM (0.39) ATF4
SCHEMBL15258671 0.63 HDAC3 (0.47) ATF4HDAC4
SCHEMBL25384051 0.62 NPC1 (0.34) ATF4
SCHEMBL16161986 0.60 HDAC4 (0.47) HDAC4
SCHEMBL23358860 0.60 ERCC5 (0.45) ATF4

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
EP-4247811-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 — — EP disclosed
WO-2022106375-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 — — WO disclosed
Send feedback