SCHEMBL16622105

SCHEMBL16622105

c1ccc2c(c1)c1cccc3c4cc(-c5ccc6[nH]c7ccc(-c8ccc9c(c8)c8cccc%10c%11ccccc%11n9c%108)cc7c6c5)ccc4n2c13

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
KIF11 P52732 3/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
NPY5R Q15761 5/20 0.36
PTGER4 P35408 1/20 0.36
HSD17B10 Q99714 2/20 0.35
GPR3 P46089 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
TSPO P30536 1/20 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
SCHEMBL26287764 0.97 AHR (0.44) AHRKIF11TLR9TLR8TLR7
SCHEMBL23820553 0.90 AHR (0.41) AHRKIF11ALDH1A1KDM4EMEN1
SCHEMBL26532148 0.90 CDK4 (0.39) AHRKIF11TLR9TLR8TLR7
SCHEMBL18042240 0.90 AHR (0.43) AHRKIF11TLR9TLR8TLR7
SCHEMBL16621739 0.88 KDM4E (0.44) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL10153530 0.88 KDM4E (0.44) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL17265129 0.88 AHR (0.47) AHRKIF11ALDH1A1KDM4EMEN1
SCHEMBL16621737 0.85 KDM4E (0.41) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL16621736 0.85 KDM4E (0.41) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL10153915 0.85 KDM4E (0.41) ALDH1A1KDM4EMEN1MAPTHPGD

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-9000421-B2 Organic electroluminescent element, materials for organic electroluminescent element, and light emitting device, display device, or illumination device, each using the element, and compounds used in the element UDC IRELAND LIMITED (IE) 2015-04-07 US disclosed