SCHEMBL12424875

SCHEMBL12424875

[C-]#[N+]c1cccc(C2=C3C(=O)NC(c4ccc([N+](=O)[O-])cc4)=C3C(=O)N2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.39
GSK3A P49840 4/20 0.37
PGR P06401 3/20 0.37
TDP2 O95551 2/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
APP P05067 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
SCHEMBL12424802 0.84 PTGS2 (0.38) GSK3BTDP2
SCHEMBL12425032 0.84 PTGS2 (0.37) GSK3BGAAMAPT
SCHEMBL25027833 0.81 GSK3B (0.47) GSK3BGSK3AGAAMAPTCYP3A4
SCHEMBL12424874 0.75 PTGS2 (0.31)
SCHEMBL2913743 0.70 TSHR (0.61) GAATDP1
SCHEMBL5124277 0.68 GSK3B (0.41) GSK3BPGRTDP2HTR1AHTR7
Hydrochloric Acid SCHEMBL11290386 0.68 TSHR (0.59) GAATDP1
Hydrochloric Acid SCHEMBL11290393 0.68 TSHR (0.59) GAATDP1
SCHEMBL25028262 0.67 MAPT (0.47) GSK3BGSK3AGAAMAPTTDP1
SCHEMBL2273860 0.66 ALDH1A1 (0.50) MAPTTDP1APP

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
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed