SCHEMBL25003563

SCHEMBL25003563

COC(=O)c1nccc(-c2ccc(OC3CCCC3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 8/20 0.52
▸ FDPS P14324 2/20 0.44
▸ PDE4D Q08499 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRM5 P41594 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL25003144 0.84 KMO (0.51) KMOFDPSNPC1ALDH1A1LMNA
SCHEMBL25002894 0.82 KMT2A (0.56) KMONPC1ALDH1A1LMNARAB9A
SCHEMBL25003934 0.81 KDM4E (0.52) FDPSPDE4DNPC1ALDH1A1LMNA
SCHEMBL25003564 0.78 NPC1 (0.55) KMONPC1ALDH1A1LMNARAB9A
SCHEMBL25002923 0.78 FDPS (0.44) FDPSPDE4DNPC1ALDH1A1LMNA
SCHEMBL25002908 0.78 FDPS (0.57) FDPSPDE4DNPC1ALDH1A1LMNA
SCHEMBL27237475 0.77 ALDH1A1 (0.50) KMOALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL30862201 0.77 ALDH1A1 (0.50) KMOALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL25003565 0.77 KMO (0.50) KMOFDPSNPC1ALDH1A1LMNA
SCHEMBL25003570 0.77 KMO (0.50) KMONPC1ALDH1A1RAB9AMEN1

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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