SCHEMBL18941863

SCHEMBL18941863

N=C(N)NCCCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(N=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 6/20 0.45
▸ MEF2D Q14814 2/20 0.45
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC3 O15379 4/20 0.44
▸ HDAC7 Q8WUI4 4/20 0.44
▸ HDAC2 Q92769 4/20 0.44
▸ HDAC10 Q969S8 4/20 0.44
▸ HDAC11 Q96DB2 4/20 0.44
▸ HDAC8 Q9BY41 4/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ HDAC9 Q9UKV0 4/20 0.44
▸ HDAC5 Q9UQL6 4/20 0.44
▸ PDE4A P27815 3/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ PADI1 Q9ULC6 2/20 0.43
▸ PADI4 Q9UM07 2/20 0.43
▸ PADI2 Q9Y2J8 2/20 0.43
▸ PADI6 Q6TGC4 1/20 0.43

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
SCHEMBL1009191 0.89 HDAC4 (0.47) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL701212 0.84 NPC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL2936175 0.84 NPC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL591280 0.84 NPC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL676271 0.84 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL676270 0.84 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL29458758 0.84 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL10583019 0.84 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL24612904 0.83 KDM4E (0.56) HDAC4MEF2DHDAC1HDAC3HDAC7
Hydrochloric Acid SCHEMBL593062 0.83 NPC1 (0.50) HDAC4MEF2DHDAC1HDAC3HDAC7

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-20170158836-A1 ORDERED MACROPOROUS HYDROGELS FOR BIORESPONSIVE PROCESSES CARNEGIE MELLON UNIVERSITY 2017-06-08 — — US disclosed
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