SCHEMBL4020057

SCHEMBL4020057

O=C(O)C(=S)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CTSD P07339 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3448887 0.75 L3MBTL1 (0.56) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL11493122 0.75 TDP1 (0.56) L3MBTL1TDP1HDAC3HDAC4HDAC1
Diphenylacetic Acid SCHEMBL38022 0.74 SRC (0.62) L3MBTL1TDP1HDAC3HDAC4HDAC1
Diphenylacetic Acid SCHEMBL8513250 0.74 SRC (0.62) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL465969 0.74 TDP1 (0.61) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL9010845 0.74 L3MBTL1 (0.48) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL8047739 0.73 L3MBTL1 (0.54) L3MBTL1TDP1HDAC3HDAC4HDAC1
Diphenylacetic Acid SCHEMBL9485695 0.72 SRC (0.59) L3MBTL1TDP1HDAC3HDAC4HDAC1
Diphenylacetic Acid SCHEMBL8411440 0.72 SRC (0.59) L3MBTL1TDP1HDAC3HDAC4HDAC1
Diphenylacetic Acid SCHEMBL418537 0.72 SRC (0.59) L3MBTL1TDP1HDAC3HDAC4HDAC1

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-2009090663-A1 NOVEL CRYSTALLINE POLYMORPH OF ARMODAFINIL AND AN IMPROVED PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2009-07-23 WO claimed
WO-2009090663-A1 NOVEL CRYSTALLINE POLYMORPH OF ARMODAFINIL AND AN IMPROVED PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2009-07-23 WO disclosed