SCHEMBL23032004

SCHEMBL23032004

CN(Cc1ccc(/C(N)=N/N=C\N)cc1)C(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.55
MCHR1 Q99705 1/20 0.47
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
RAB9A P51151 1/20 0.45
LIMK2 P53671 1/20 0.45
HDAC3 O15379 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RIPK1 Q13546 1/20 0.41
MLYCD O95822 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 1/20 0.39
AOC3 Q16853 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
SCHEMBL23031877 0.86 PYCR1 (0.41) NSD2MCHR1RAB9AKMT2AMEN1
SCHEMBL22044273 0.78 GRIN2B (0.44) RAB9AKMT2A
SCHEMBL23031798 0.77 HDAC1 (0.39) MCHR1HDAC6HDAC1HDAC3ALDH1A1
SCHEMBL23032115 0.76 L3MBTL1 (0.58) ALDH1A1KMT2AMEN1
SCHEMBL2164868 0.75 NSD2 (0.64) NSD2MCHR1HDAC6HDAC1RAB9A
SCHEMBL5643054 0.75 KMT2A (0.68) NSD2MCHR1HDAC6HDAC1RAB9A
SCHEMBL23031878 0.75 LMNA (0.44) HDAC1ALDH1A1KMT2AMEN1
SCHEMBL5646698 0.74 NSD2 (0.68) NSD2MCHR1HDAC6HDAC1RAB9A
SCHEMBL30131237 0.74 NSD2 (0.68) NSD2MCHR1HDAC6HDAC1RAB9A
SCHEMBL5644792 0.74 LIMK2 (0.70) NSD2HDAC6HDAC1LIMK2KMT2A

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