SCHEMBL3672926

SCHEMBL3672926

CCc1c(N)ccc(S)c1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
S100B P04271 1/20 0.31
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3675442 0.83 NOS2 (0.39) NOS2CYP3A4TSHRPIK3CA
SCHEMBL3678897 0.82 ALDH1A1 (0.33) NOS3NOS2CYP3A4TSHRALDH1A1
SCHEMBL9847085 0.81 CYP3A4 (0.43) NOS3NOS2CYP3A4TSHRPIK3CA
SCHEMBL2954428 0.77 NOS2 (0.42) NOS3NOS2CYP3A4TSHRPIK3CA
SCHEMBL3668718 0.76 SKP2 (0.44) NOS3NOS2POLBSMN1; SMN2
SCHEMBL3222203 0.76 ALDH1A1 (0.39) NOS3NOS2CYP3A4TSHRPIK3CA
SCHEMBL30117633 0.75 NOS3 (0.41) NOS3NOS2CYP3A4TSHRPIK3CA
SCHEMBL215981 0.75 NOS3 (0.41) NOS3NOS2CYP3A4TSHRPIK3CA
SCHEMBL3671141 0.75 NOS2 (0.35) NOS2POLB
SCHEMBL14159898 0.74 NOS3 (0.35) NOS3NOS2CYP3A4TSHRPIK3CA

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