SCHEMBL7977138

SCHEMBL7977138

N#CN(CCCCCCCCCN(C#N)C(=N)Nc1ccncc1)C(=N)Nc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MDM2 Q00987 1/20 0.37
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
BCHE P06276 2/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7979087 1.00 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7980452 1.00 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7983311 1.00 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7980978 1.00 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7980734 0.83 LMNA (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7980436 0.83 LMNA (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7978761 0.83 LMNA (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7983319 0.83 LMNA (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9299300 0.82 BCHE (0.36) MDM2KMT2AGAABCHEKDM4E
SCHEMBL7967399 0.82 RAB9A (0.40) MDM2KMT2AGAABCHEKDM4E

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
US-6300345-B1 AS ANTIPROLIFERATIVE AGENT Leo Pharmacuetical Products Ltd. A/S (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-10-09 US disclosed