SCHEMBL1627

SCHEMBL1627

Cc1noc(-c2ccc(Br)cc2)c1C(CO)SCc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.41
LMNA P02545 1/20 0.37
BRD4 O60885 2/20 0.36
DAO P14920 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
GFER P55789 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL1307 1.00 EPHX1 (0.41) EPHX1LMNABRD4DAOHDAC3
SCHEMBL6943 0.85 EPHX1 (0.35) EPHX1LMNA
SCHEMBL2087 0.85 EPHX1 (0.35) EPHX1LMNA
SCHEMBL1853 0.84 EPHX1 (0.41) EPHX1LMNABRD4DAOHDAC3
SCHEMBL1306 0.83 LMNA (0.37) EPHX1LMNABRD4DAOHDAC3
SCHEMBL1626 0.83 LMNA (0.37) EPHX1LMNABRD4DAOHDAC3
SCHEMBL2259 0.81 LMNA (0.37) LMNABRD4HDAC3HDAC1HDAC2
SCHEMBL6814 0.80 CYP1A2 (0.31)
SCHEMBL2258 0.77 LMNA (0.37) LMNABRD4
SCHEMBL2761216 0.77 CSGALNACT1 (0.39) LMNABRD4HDAC3HDAC1HDAC2

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-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed