SCHEMBL25003153

SCHEMBL25003153

NNC(=O)c1ccnc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ TLR7 Q9NYK1 3/20 0.46
▸ SCN10A Q9Y5Y9 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ FPR2 P25090 2/20 0.44
▸ SCN9A Q15858 2/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SUCNR1 Q9BXA5 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ AHR P35869 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL29520004 0.85 SCN9A (0.53) TLR7SCN10AADORA3FPR2SCN9A
SCHEMBL25002901 0.84 ADORA3 (0.49) KMT2ATLR7SCN10AADORA3FPR2
SCHEMBL25003826 0.83 CA1 (0.54) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL25003126 0.82 ALDH1A1 (0.51) KMT2AMEN1ADORA3NPC1RAB9A
SCHEMBL25003130 0.82 ABL1 (0.60) KMT2AMEN1TLR7SCN10ASCN9A
SCHEMBL15104613 0.81 CYP1A2 (0.46) SCN10AADORA3FPR2SCN9ANPC1
SCHEMBL25003794 0.80 PLK1 (0.49) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL25003134 0.80 NPC1 (0.51) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL25003142 0.80 ALDH1A1 (0.53) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL25003131 0.78 MAP4K4 (0.55) KMT2AMEN1RAB9AL3MBTL1KDM4E

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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