SCHEMBL16200542

SCHEMBL16200542

CN(c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.50
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX12 P18054 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALOX15 P16050 3/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
KDM1A O60341 7/20 0.48
HPGD P15428 1/20 0.45
CHKA P35790 1/20 0.42
CYP3A4 P08684 3/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL18432000 0.94 NR3C2 (0.53) NR3C2HSD17B10ALDH1A1ALOX12L3MBTL1
SCHEMBL27315184 0.89 ALDH1A1 (0.62) NR3C2HSD17B10ALDH1A1ALOX12L3MBTL1
SCHEMBL9513157 0.89 NR3C2 (0.60) NR3C2HSD17B10ALDH1A1ALOX12L3MBTL1
SCHEMBL7903789 0.87 ALDH1A1 (0.62) NR3C2HSD17B10ALDH1A1ALOX12L3MBTL1
SCHEMBL9782622 0.87 ALDH1A1 (0.59) NR3C2HSD17B10ALDH1A1ALOX12L3MBTL1
SCHEMBL12249883 0.87 ALDH1A1 (0.50) NR3C2HSD17B10ALDH1A1TDP1MAPK1
SCHEMBL6723783 0.87 ALDH1A1 (0.50) NR3C2HSD17B10ALDH1A1TDP1MAPK1
SCHEMBL6723671 0.87 ALDH1A1 (0.50) NR3C2HSD17B10ALDH1A1TDP1MAPK1
SCHEMBL6723957 0.87 ALDH1A1 (0.50) NR3C2HSD17B10ALDH1A1TDP1MAPK1
SCHEMBL6723658 0.84 CHKA (0.53) NR3C2HSD17B10ALDH1A1TDP1MAPK1

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-2332911-B1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2015-06-24 EP disclosed
EP-2796448-A1 Material for organic electronic device and organic electronic device using the same LG CHEM, LTD. (KR) 2014-10-29 EP disclosed