SCHEMBL12424801

SCHEMBL12424801

CN(c1ccccc1)c1ccc(C2=C3C(=O)NC(c4ccccc4)=C3C(=O)N2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.59
PTGS2 P35354 5/20 0.42
PRKCB P05771 1/20 0.42
NR3C2 P08235 1/20 0.39
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL12424773 0.98 GSK3B (0.57) GSK3BPTGS2PRKCBNR3C2EGFR
SCHEMBL12424758 0.86 GSK3B (0.46) GSK3BPTGS2MEN1KMT2AALDH1A1
SCHEMBL5892109 0.84 GSK3B (0.44) GSK3BPTGS2PRKCBMEN1KMT2A
SCHEMBL7754290 0.82 PTGS2 (0.48) GSK3BPTGS2ALDH1A1
SCHEMBL91967 0.82 PTGS2 (0.48) GSK3BPTGS2ALDH1A1
SCHEMBL278635 0.82 GSK3B (0.48) GSK3BPTGS2HTTALDH1A1LMNA
SCHEMBL12425029 0.81 GSK3B (0.49) GSK3BPTGS2PRKCB
SCHEMBL5892113 0.80 ALDH1A1 (0.44) GSK3BMEN1KMT2AALDH1A1MAPK1
SCHEMBL9833136 0.79 PTGS2 (0.47) GSK3BPTGS2MEN1KMT2AALDH1A1
SCHEMBL24942129 0.78 TAAR1 (0.61) GSK3BPTGS2ALDH1A1

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