SCHEMBL6903905

SCHEMBL6903905

CC=C(c1ccccc1)C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)c2ccc(C(=O)NC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.42
HDAC4 P56524 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL6900931 0.91 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6898723 0.91 HDAC1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6901597 0.89 HDAC1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6898018 0.89 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6903710 0.88 HDAC4 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6898410 0.88 MEN1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6901651 0.88 FLT1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6903105 0.87 CA12 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6901578 0.86 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6901743 0.85 HDAC1 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP claimed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO claimed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO disclosed