SCHEMBL15909646

SCHEMBL15909646

CC1(C)c2cc(-c3ccc(F)cc3)cc3ccc4cc(-c5ccc(N(c6ccccc6)c6ccc(C#N)cc6)cc5)cc1c4c23

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
PGR P06401 6/20 0.37
HRH3 Q9Y5N1 4/20 0.35
PDK2 Q15119 1/20 0.35
KDM1A O60341 1/20 0.35
SQOR Q9Y6N5 1/20 0.34
MYC P01106 1/20 0.34
SCN9A Q15858 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL15909652 0.93 MYC (0.39) PTGDR2PGRHRH3PDK2MYC
SCHEMBL15909665 0.89 HRH3 (0.35) PTGDR2PGRHRH3PDK2MYC
SCHEMBL15909813 0.88 PTGDR2 (0.48) PTGDR2PGRHRH3KDM1ASQOR
SCHEMBL17849647 0.87 MYC (0.37) PTGDR2PGRHRH3PDK2MYC
SCHEMBL17849668 0.87 HRH3 (0.37) PTGDR2PGRHRH3PDK2MYC
SCHEMBL15909670 0.85 GRM5 (0.37) PTGDR2MYCSCN9AGABRA1GABRG2
SCHEMBL15909664 0.84 CYP11B2 (0.50) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL15909636 0.84 HRH3 (0.35) PTGDR2PGRHRH3PDK2MYC
SCHEMBL17849666 0.83 CYP11B2 (0.51) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL15909625 0.83 HRH3 (0.37) PGRHRH3PDK2MYCSCN9A

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
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed