SCHEMBL26690453

SCHEMBL26690453

CCNCCNCc1c(C)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SCN8A Q9UQD0 5/20 0.42
▸ HTT P42858 1/20 0.41
▸ ACHE P22303 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CHRM2 P08172 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL26691214 0.81 MEN1 (0.70) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL13970839 0.79 MEN1 (0.49) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL28422762 0.77 SLC6A2 (0.39) ACHEKDM4EALDH1A1TDP1CHRM2
SCHEMBL14613959 0.76 ACHE (0.44) MEN1KMT2ASMN1; SMN2SCN8AHTT
SCHEMBL31737438 0.74 ACHE (0.43) MEN1KMT2ASMN1; SMN2SCN8AHTT
SCHEMBL170728 0.74 ACHE (0.46) MEN1KMT2ASMN1; SMN2ACHEKDM4E
SCHEMBL19657536 0.74 SLC6A4 (0.42) MEN1KMT2ASMN1; SMN2SCN8AHTT
SCHEMBL170719 0.73 ACHE (0.50) MEN1KMT2ASMN1; SMN2SCN8AACHE
SCHEMBL2221552 0.71 MEN1 (0.67) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL19099380 0.71 GRIN2B (0.43) SMN1; SMN2SCN8AHTTACHEKDM4E

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
EP-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 — — EP disclosed
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