SCHEMBL16284331

SCHEMBL16284331

Cc1cc(C(C)C#N)c([N+](=O)[O-])cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
HTT P42858 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NLRP1 Q9C000 1/20 0.42
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.36
TSHR P16473 4/20 0.36
CYP3A4 P08684 2/20 0.36
VCAM1 P19320 1/20 0.36
RECQL P46063 1/20 0.36
GPR35 Q9HC97 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDK1 Q15118 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
SCHEMBL26661041 0.92 TSHR (0.39) ALDH1A1MAPTTDP1HTTHSP90AA1
SCHEMBL30669495 0.92 TSHR (0.39) ALDH1A1MAPTTDP1HTTHSP90AA1
SCHEMBL10916256 0.81 ESPL1 (0.38) ALDH1A1MAPTTDP1HTTHSP90AA1
SCHEMBL19645249 0.80 PDK1 (0.46) ALDH1A1MAPTTDP1HTTHSP90AA1
SCHEMBL16285727 0.79 ALDH1A1 (0.47) ALDH1A1MAPTTDP1HTTHSD17B10
SCHEMBL30556448 0.77 S100A4 (0.41) ALDH1A1MAPTTDP1HPGDCYP1A2
SCHEMBL29062251 0.77 S100A4 (0.41) ALDH1A1MAPTTDP1HPGDCYP1A2
SCHEMBL10911072 0.77 TDP1 (0.47) ALDH1A1MAPTTDP1HTTHPGD
SCHEMBL10916251 0.74 GPR35 (0.42) ALDH1A1MAPTTDP1CCR6CYP1A2
SCHEMBL16284335 0.74 CYP1A2 (0.44) ALDH1A1MAPTTDP1HTTHSP90AA1

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-9832880-B2 Electronic apparatus and method for manufacturing the same Innolux Corporation (TW) 2017-11-28 US disclosed
US-20140362545-A1 ELECTRONIC APPARATUS AND METHOD FOR MANUFACTURING THE SAME Innolux Corporation (TW) 2014-12-11 US disclosed