SCHEMBL5514907

SCHEMBL5514907

O=C=C(Cc1ccsc1)c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
DAO P14920 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6204961 0.74 CES2 (0.42) CES2CES1LCKFYNDAO
SCHEMBL8865574 0.70 CES2 (0.56) CES2CES1LCKFYNDAO
SCHEMBL351615 0.69
SCHEMBL10624628 0.69
SCHEMBL4772634 0.68 CYP1A2 (0.49) CES2CES1LCKFYNDAO
SCHEMBL9776613 0.68 HDAC6 (0.42) TDP1NPC1RAB9AHDAC1HDAC6
SCHEMBL8075617 0.67
Hydrochloric Acid SCHEMBL8437714 0.67 AKR1B1 (0.48) LCKFYNDAOTDP1NPC1
SCHEMBL11676414 0.67
SCHEMBL2100538 0.67

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-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 US disclosed
US-20050004253-A1 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD 2005-01-06 US disclosed
EP-1406116-A1 NONLINEAR OPTICAL MATERIAL CONTAINING FLUOROPOLYMER Daikin Industries, Ltd. (JP) 2004-04-07 EP disclosed