SCHEMBL12424920

SCHEMBL12424920

O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=C2C(=O)NC(c3ccc(Cl)c([N+](=O)[O-])c3)=C12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
VCAM1 P19320 7/20 0.45
MAPK1 P28482 1/20 0.45
DHFR P00374 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PKM P14618 1/20 0.42
KAT2B Q92831 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
DAPK3 O43293 1/20 0.40

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
SCHEMBL12425021 0.82 TSHR (0.43) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL5992360 0.79 VCAM1 (0.60) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL286464 0.78 AHR (0.50) MAPTMEN1KMT2AGSK3AGSK3B
SCHEMBL12425031 0.78 CRHBP (0.43) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL2461199 0.77 VCAM1 (0.58) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL12425019 0.75 TDP1 (0.51) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL12425034 0.74 TDP1 (0.43) MAPTMEN1ALDH1A1KMT2AVCAM1
SCHEMBL23519815 0.73 PDE3B (0.43) MAPTGSK3AGSK3B
SCHEMBL25027833 0.73 GSK3B (0.47) MAPTALDH1A1GSK3AGSK3B
SCHEMBL7750652 0.72 AHR (0.43) MAPTMEN1ALDH1A1KMT2AGSK3A

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