SCHEMBL23031869

SCHEMBL23031869

N/C=N\N=C(/N)c1ccc(CNCCF)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.36
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ ANPEP P15144 2/20 0.33
▸ ERAP2 Q6P179 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ TBK1 Q9UHD2 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23031878 0.84 LMNA (0.44) HDAC1HDAC8CHRM2MEN1KMT2A
SCHEMBL21300883 0.78 LOXL2 (0.47) HDAC6
SCHEMBL23031880 0.74 ALDH1A1 (0.35) —
SCHEMBL23032115 0.74 L3MBTL1 (0.58) MEN1KMT2A
SCHEMBL23032003 0.74 ALDH1A1 (0.32) —
SCHEMBL22044273 0.71 GRIN2B (0.44) KMT2A
SCHEMBL23031867 0.70 CA2 (0.43) ANPEPMEN1KMT2A
SCHEMBL24529806 0.70 ALOX15 (0.45) HDAC1
SCHEMBL22815269 0.69 KDM1A (0.48) OPRD1MEN1KMT2A
SCHEMBL24267754 0.69 NAMPT (0.49) HDAC1HDAC6MEN1KMT2ATDP1

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-2021034924-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. (US) 2021-02-25 — — WO disclosed
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