SCHEMBL28544744

SCHEMBL28544744

[N-]=[N+]=NCc1ccc(NC(=O)CCCOC(N)=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 8/20 0.43
▸ HDAC3 O15379 3/20 0.43
▸ NCOR2 Q9Y618 3/20 0.43
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL22122715 0.85 SMN1; SMN2 (0.43) HDAC8HDAC3NCOR2HDAC2HDAC1
SCHEMBL22122701 0.80 CYP1A1 (0.46) HDAC8HDAC3NCOR2SMN1; SMN2POLB
SCHEMBL22122705 0.80 SMN1; SMN2 (0.41) HDAC8HDAC3NCOR2HDAC2HDAC1
SCHEMBL22149955 0.77 SMN1; SMN2 (0.38) HDAC8HDAC3NCOR2HDAC2HDAC1
SCHEMBL30921556 0.76 CA1 (0.53) HDAC8HDAC3NCOR2HDAC2HDAC1
SCHEMBL17060910 0.76 P4HTM (0.37) HDAC8HDAC3NCOR2HDAC1SMN1; SMN2
SCHEMBL17060912 0.76 P4HTM (0.37) HDAC8HDAC3NCOR2HDAC1SMN1; SMN2
SCHEMBL22150196 0.76 HDAC8 (0.39) HDAC8HDAC3NCOR2HDAC2HDAC1
SCHEMBL22149736 0.75 HDAC8 (0.40) HDAC8HDAC3NCOR2HDAC2HDAC1
SCHEMBL29391711 0.74 CA1 (0.44) HDAC8POLBL3MBTL1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112672996-B Heterocyclic azide units and their use in polymeric coatings 伊鲁米纳剑桥有限公司 2024-01-05 — — CN disclosed
CN-112672996-A Heterocyclic azide units and their use in polymeric coatings 伊鲁米纳剑桥有限公司 2021-04-16 — — CN disclosed
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