SCHEMBL25003161

SCHEMBL25003161

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 3/20 0.58
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAP4K4 O95819 1/20 0.43
▸ LNPEP Q9UIQ6 3/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ GRM5 P41594 2/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 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
SCHEMBL25002908 0.84 FDPS (0.57) FDPSLMNANPC1ALDH1A1RAB9A
SCHEMBL25003827 0.83 FDPS (0.46) FDPSLMNANPC1ALDH1A1RAB9A
SCHEMBL25003802 0.81 FDPS (0.48) FDPSLMNANPC1ALDH1A1RAB9A
SCHEMBL25003144 0.78 KMO (0.51) FDPSLMNANPC1ALDH1A1RAB9A
SCHEMBL25003137 0.78 ALDH1A1 (0.56) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25003820 0.77 MAP4K4 (0.60) FDPSLMNANPC1ALDH1A1RAB9A
SCHEMBL27237391 0.76 FDPS (0.47) FDPSNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30951018 0.76 FDPS (0.47) FDPSNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25003130 0.75 ABL1 (0.60) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL25003138 0.75 FDPS (0.57) FDPSLMNANPC1ALDH1A1RAB9A

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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