SCHEMBL15909652

SCHEMBL15909652

CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5ccc(N(c6ccccc6)c6ccc(C#N)cc6)cc5)cc1c4c23

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
SCN9A Q15858 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A3 P47895 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
PGR P06401 4/20 0.35
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL15909665 0.93 HRH3 (0.35) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL17849647 0.93 MYC (0.37) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL15909646 0.93 PTGDR2 (0.45) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL17849668 0.93 HRH3 (0.37) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL15909664 0.91 CYP11B2 (0.50) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL17849643 0.90 L3MBTL1 (0.34) PGRKDM4ELMNASMN1; SMN2CYP11B1
SCHEMBL17849610 0.90 L3MBTL1 (0.34) PGRKDM4ELMNASMN1; SMN2CYP11B1
SCHEMBL15909670 0.89 GRM5 (0.37) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL17849666 0.89 CYP11B2 (0.51) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL15909625 0.89 HRH3 (0.37) MYCGABRA1GABRG2GABRB3GABRA5

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