SCHEMBL16601890

SCHEMBL16601890

Cc1cc(Nc2ccc(N=O)cc2)ccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
HIF1A Q16665 2/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
APP P05067 2/20 0.34

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
SCHEMBL29467776 0.77 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL28726135 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL9218756 0.76 RAPGEF4 (0.53) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL9225008 0.75 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL9221118 0.75 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL9224929 0.74 HTT (0.63) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL29947657 0.74 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL16601888 0.73 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL16601554 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4TDP1KMT2A
SCHEMBL9222866 0.69 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP3A4TDP1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993086-B2 Recordable optical recording medium TAIYO YUDEN CO., LTD. (JP) 2015-03-31 US disclosed