SCHEMBL16601888

SCHEMBL16601888

Cc1cc(I)ccc1Nc1ccc(N=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.44
IDO1 P14902 2/20 0.41
MAP2K1 Q02750 4/20 0.38
GAA P10253 3/20 0.37
TNIK Q9UKE5 1/20 0.36
KMT2A Q03164 3/20 0.34
APP P05067 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
MEN1 O00255 2/20 0.32
PTK2 Q05397 1/20 0.32
EGFR P00533 1/20 0.32
G6PD P11413 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4974758 0.83 RAPGEF4 (0.50) ALDH1A1HSD17B10TDP1TSHRCYP3A4
SCHEMBL1031031 0.77 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1TSHRCYP3A4
SCHEMBL9221118 0.77 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1TSHRCYP3A4
SCHEMBL9222906 0.76 ALDH1A1 (0.60) ALDH1A1HSD17B10TDP1TSHRCYP3A4
SCHEMBL29467776 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10TDP1TSHRCYP3A4
SCHEMBL16601559 0.74 GAA (0.47) ALDH1A1TDP1HTTIDO1MAP2K1
SCHEMBL16601890 0.73 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1TSHRCYP3A4
SCHEMBL11062435 0.71 HPGD (0.43) ALDH1A1HSD17B10CYP3A4HTTGAA
SCHEMBL8966403 0.70 NPSR1 (0.47) ALDH1A1HSD17B10TDP1TSHRCYP3A4
SCHEMBL27563212 0.70 IDO1 (0.38) TDP1IDO1MAP2K1GAATNIK

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