SCHEMBL4631676

SCHEMBL4631676

O=C(/C=C/c1ccc(Cc2nc3ccccc3[nH]2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 1.00
HDAC8 Q9BY41 7/20 1.00
HDAC6 Q9UBN7 6/20 1.00
HDAC3 O15379 5/20 1.00
HDAC4 P56524 5/20 1.00
HDAC7 Q8WUI4 5/20 1.00
HDAC2 Q92769 5/20 1.00
HDAC10 Q969S8 5/20 1.00
HDAC11 Q96DB2 5/20 1.00
HDAC9 Q9UKV0 5/20 1.00
HDAC5 Q9UQL6 5/20 1.00
SMN1; SMN2 Q16637 3/20 0.58
PKM P14618 1/20 0.58
POLB P06746 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
STAT1 P42224 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL4631682 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8320488 0.88 HDAC1 (0.78) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8327119 0.87 HDAC1 (0.87) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8241469 0.87 HDAC1 (0.77) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8319323 0.85 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8320552 0.85 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8325016 0.85 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8323858 0.84 HDAC1 (0.72) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8320037 0.84 HDAC1 (0.72) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8327544 0.84 HDAC1 (0.72) HDAC1HDAC8HDAC6HDAC3HDAC4

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
US-20080213383-A1 FINE PARTICLES OF POORLY WATER-SOLUBLE DRUG HAVING ENTERIC MATERIAL ADSORBED ON PARTICLE SURFACE ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
EP-1923051-A1 MICROPARTICLE OF HARDLY-SOLUBLE SUBSTANCE HAVING ENTERIC BASE MATERIAL ADSORBED ON THE SURFACE OF THE SUBSTANCE Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed