SCHEMBL17323482

SCHEMBL17323482

Nc1cc(N)c(OCc2cccnc2)cc1OCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
IKBKB O14920 1/20 0.50
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MGMT P16455 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
NOS3 P29474 1/20 0.45
CHRNA7 P36544 1/20 0.44
LMNA P02545 1/20 0.44
HTR6 P50406 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.43

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
SCHEMBL13428030 0.86 CYP19A1 (0.58) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL1028598 0.83 HTR1A (0.61) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL3315005 0.83 HTR1A (0.51) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL2038362 0.83 HTR1A (0.51) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL2038082 0.83 LRRK2 (0.50) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL5165883 0.83 HTR1A (0.45) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL26917169 0.80 LTA4H (0.73) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL29857565 0.80 LTA4H (0.73) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL17629916 0.80 CYP11B1 (0.50) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL3133767 0.78 LTA4H (0.55) HTR1ADRD2LTA4HMAPK14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9404041-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element CHI MEI CORPORATION (TW) 2016-08-02 US disclosed
US-9404041-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element CHI MEI CORPORATION (TW) 2016-08-02 US disclosed
US-20150353829-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2015-12-10 US disclosed
US-20150353829-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2015-12-10 US disclosed