SCHEMBL3678897

SCHEMBL3678897

CCc1c(N)ccc(S)c1CC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3671141 0.87 NOS2 (0.35) NOS2KDM4EPOLB
SCHEMBL215981 0.84 NOS3 (0.41) ALDH1A1NOS3NOS2KDM4EMEN1
SCHEMBL30117633 0.84 NOS3 (0.41) ALDH1A1NOS3NOS2KDM4EMEN1
SCHEMBL3668718 0.84 SKP2 (0.44) NOS3NOS2KDM4EPOLBHPGD
SCHEMBL3672926 0.82 NOS3 (0.35) ALDH1A1NOS3NOS2POLBMAPT
Hydrochloric Acid SCHEMBL4662390 0.82 NOS3 (0.39) ALDH1A1NOS3NOS2KDM4EMEN1
Hydrochloric Acid SCHEMBL9640854 0.82 NOS3 (0.39) ALDH1A1NOS3NOS2KDM4EMEN1
Hydroxyamine SCHEMBL28193821 0.79 NOS3 (0.38) ALDH1A1NOS3NOS2KDM4EMEN1
SCHEMBL10523949 0.79 CYP3A4 (0.39) ALDH1A1NOS3NOS2HPGDHSD17B10
SCHEMBL3669925 0.77 NOS2 (0.37) ALDH1A1NOS2KDM4EMAPTHPGD

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-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed