SCHEMBL25002908

SCHEMBL25002908

COC(=O)c1cc(-c2ccc(OC3CCCC3)cc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 3/20 0.57
▸ PDE4D Q08499 4/20 0.45
▸ PDE4A P27815 3/20 0.45
▸ PDE4B Q07343 3/20 0.45
▸ PDE4C Q08493 3/20 0.45
▸ ABL1 P00519 2/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GRM5 P41594 2/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ APP P05067 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.40
▸ ACACB O00763 1/20 0.40

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
SCHEMBL25003161 0.84 FDPS (0.58) FDPSPDE4DPDE4APDE4BPDE4C
SCHEMBL25002923 0.82 FDPS (0.44) FDPSPDE4DPDE4APDE4BPDE4C
SCHEMBL13188759 0.81 DYRK1A (0.58) FDPSLMNANPC1ALDH1A1RAB9A
SCHEMBL25003934 0.80 KDM4E (0.52) FDPSPDE4DLMNANPC1ALDH1A1
SCHEMBL30800091 0.78 ALDH1A1 (0.54) LMNAALDH1A1MAPTACACB
SCHEMBL7317661 0.78 PARP10 (0.54) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL25003563 0.78 KMO (0.52) FDPSPDE4DABL1TYK2JAK3
SCHEMBL30951018 0.77 FDPS (0.47) FDPSPDE4DPDE4APDE4BPDE4C
SCHEMBL25003166 0.77 FDPS (0.47) FDPSPDE4DPDE4APDE4BPDE4C
SCHEMBL27237391 0.77 FDPS (0.47) FDPSPDE4DPDE4APDE4BPDE4C

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-2023010192-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 — — WO disclosed
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