SCHEMBL6902263

SCHEMBL6902263

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
EEF2K O00418 1/20 0.43
HDAC2 Q92769 5/20 0.42
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42

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
SCHEMBL6898723 0.90 HDAC1 (0.48) LMNAHDAC2HDAC3HDAC4HDAC1
SCHEMBL6901597 0.88 HDAC1 (0.48) ALDH1A1MAPTLMNAHDAC2HDAC3
SCHEMBL6898018 0.88 HDAC3 (0.45) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6900931 0.88 HDAC3 (0.45) LMNAHDAC2HDAC3HDAC4HDAC1
SCHEMBL6898410 0.87 MEN1 (0.51) ALDH1A1LMNAHDAC2HDAC3HDAC4
SCHEMBL6901651 0.87 FLT1 (0.51) LMNAL3MBTL1CA12CA1CA2
SCHEMBL6901578 0.85 HDAC1 (0.51) ALDH1A1MAPTLMNACA12CA1
SCHEMBL6903905 0.85 HDAC3 (0.42) LMNAL3MBTL1HDAC2HDAC3HDAC4
SCHEMBL6903710 0.85 HDAC4 (0.42) ALDH1A1MAPTLMNAHDAC2HDAC3
SCHEMBL6903105 0.84 CA12 (0.45) CA12CA1CA2CA9EEF2K

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