SCHEMBL6681600

SCHEMBL6681600

O=C(CCCCCNC(=O)Nc1cccc(-c2nc3cc(F)ccc3o2)c1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 1.00
HDAC4 P56524 10/20 1.00
HDAC1 Q13547 10/20 1.00
HDAC7 Q8WUI4 10/20 1.00
HDAC2 Q92769 10/20 1.00
HDAC10 Q969S8 10/20 1.00
HDAC11 Q96DB2 10/20 1.00
HDAC8 Q9BY41 10/20 1.00
HDAC6 Q9UBN7 10/20 1.00
HDAC9 Q9UKV0 10/20 1.00
HDAC5 Q9UQL6 10/20 1.00
TP53 P04637 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.50
P2RY14 Q15391 3/20 0.49
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48

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
SCHEMBL6683233 0.94 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6682228 0.91 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6683084 0.90 HDAC1 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6682198 0.90 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6685323 0.90 HDAC6 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6688264 0.88 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6683212 0.86 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6681461 0.84 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6681476 0.82 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6682363 0.81 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2

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
WO-2004067480-A2 SUBSTITUTED PHENYLUREA DERIVATIVES AS HDAC INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-08-12 WO disclosed
WO-2004067480-A2 SUBSTITUTED PHENYLUREA DERIVATIVES AS HDAC INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-08-12 WO disclosed