SCHEMBL5423923

SCHEMBL5423923

Ic1ccc2ccccc2c1N(c1ccccc1)c1cccc2c(N(c3ccccc3)c3c(I)ccc4ccccc34)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.38
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPRT1 P00492 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
NR4A1 P22736 1/20 0.30
NR4A2 P43354 1/20 0.30

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
SCHEMBL5804769 0.85 CHRNB2 (0.33) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1772889 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4629104 0.80 SIGMAR1 (0.43) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL4650694 0.79 SIGMAR1 (0.47) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL76828 0.79 SIGMAR1 (0.50) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29527814 0.79 SIGMAR1 (0.50) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL26045529 0.78 HPRT1 (0.54) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL5198734 0.78 HPRT1 (0.54) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1274352 0.78 HPRT1 (0.54) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL13250570 0.78 SIGMAR1 (0.46) SIGMAR1ALDH1A1HSD17B10CYP2A6TSHR

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-20070166566-A1 Electroluminescent device including a gallium complex EASTMAN KODAK COMPANY 2007-07-19 US disclosed