SCHEMBL25003145

SCHEMBL25003145

NNC(=O)c1nccc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMO O15229 2/20 0.48
▸ SCN10A Q9Y5Y9 5/20 0.47
▸ SUCNR1 Q9BXA5 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.44
▸ SCN2A Q99250 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMO Q99835 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ ABL1 P00519 3/20 0.42
▸ BCR P11274 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL25003570 0.84 KMO (0.50) KMT2AMEN1KMOSCN10ASUCNR1
SCHEMBL25003146 0.83 ALDH1A1 (0.54) KMT2AMEN1KMOKDM4EGAA
SCHEMBL25003151 0.82 ALDH1A1 (0.57) KMT2AMEN1KMOSCN10AADORA3
SCHEMBL25003132 0.80 CYP2D6 (0.50) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL25003143 0.80 MEN1 (0.48) KMT2AMEN1KMOKDM4EGAA
SCHEMBL25003141 0.80 KMO (0.48) KMT2AMEN1KMOKDM4EGAA
SCHEMBL25003825 0.80 SCN10A (0.68) KMT2AMEN1SCN10AADORA3KDM4E
SCHEMBL25003139 0.78 KMO (0.68) KMT2AMEN1KMOKDM4EGAA
SCHEMBL25003803 0.78 SUCNR1 (0.67) SCN10ASUCNR1SCN2AABL1
SCHEMBL30489168 0.78 MEN1 (0.69) KMT2AMEN1KMOSMO

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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