SCHEMBL28948985

SCHEMBL28948985

C=CC(=O)NCCCCNC(=O)c1ccc(-c2ccccn2)nc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.59
▸ P4HTM Q9NXG6 2/20 0.49
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ GABRA5 P31644 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TGM2 P21980 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
SCHEMBL30153375 1.00 HPGDS (0.59) HPGDSP4HTMHDAC1HDAC3HDAC4
SCHEMBL28948987 0.98 HPGDS (0.59) HPGDSP4HTMKMT2AMEN1EPHX2
SCHEMBL30153214 0.98 HPGDS (0.59) HPGDSP4HTMKMT2AMEN1EPHX2
SCHEMBL30153319 0.95 HPGDS (0.62) HPGDSP4HTMKMT2AMEN1GABRA5
SCHEMBL28948982 0.95 HPGDS (0.62) HPGDSP4HTMKMT2AMEN1GABRA5
SCHEMBL22150633 0.77 KDM4E (0.45) HDAC1EPHX2KDM4ETGM2
Hydrochloric Acid SCHEMBL31092651 0.75 NPC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL15748014 0.74 HPGDS (0.60) HPGDSP4HTMKMT2AMEN1GABRA5
SCHEMBL19888923 0.73 LMNA (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8872720 0.72 KDM4E (0.57) HPGDSEPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115531554-A Synthetic lethal nano-drug combined carrier and application thereof in preparation of GBM targeted drugs 河南大学 2022-12-30 — — CN claimed
CN-115531554-B Synthetic lethal nano-drug combination carrier and application thereof in preparation of GBM targeted drugs 河南大学 2023-08-11 — — CN disclosed
CN-115531554-A Synthetic lethal nano-drug combined carrier and application thereof in preparation of GBM targeted drugs 河南大学 2022-12-30 — — CN disclosed
Send feedback