SCHEMBL4609173

SCHEMBL4609173

c1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)c(-c2ccccc2N(c2ccc3ccccc3c2)c2cccc3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.39
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 4/20 0.35
TSHR P16473 3/20 0.35
CYP2A6 P11509 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 3/20 0.35
CYP1B1 Q16678 1/20 0.35
MAPK1 P28482 3/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
HPRT1 P00492 2/20 0.33
TP53 P04637 1/20 0.33
CASP7 P55210 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.33
MC5R P33032 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL387184 0.93 SIGMAR1 (0.43) SIGMAR1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL5485624 0.91 SIGMAR1 (0.42) SIGMAR1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL29527479 0.91 SIGMAR1 (0.44) SIGMAR1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL78401 0.91 SIGMAR1 (0.44) SIGMAR1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL27590688 0.91 ALDH1A1 (0.37) SIGMAR1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29527290 0.90 SIGMAR1 (0.43) SIGMAR1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL76085 0.90 SIGMAR1 (0.43) SIGMAR1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL13304712 0.90 SIGMAR1 (0.43) SIGMAR1ALDH1A1HSD17B10TSHRCYP2A6
Naphthalene SCHEMBL5792407 0.90 SIGMAR1 (0.43) SIGMAR1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL14515939 0.88 SIGMAR1 (0.42) SIGMAR1ALDH1A1HSD17B10TSHRCYP2A6

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
EP-1948756-A1 ORGANIC LIGHT EMITTING DEVICES WITH DINUCLEAR COPPER COMPOUNDS EASTMAN KODAK COMPANY (US) 2008-07-30 EP disclosed
WO-2007059024-A1 ORGANIC LIGHT EMITTING DEVICES WITH DINUCLEAR COPPER COMPOUNDS EASTMAN KODAK COMPANY (US) 2007-05-24 WO disclosed