SCHEMBL19913166

SCHEMBL19913166

Cc1cc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C(F)(F)F)c7)cc65)c4-c4ccncc4)c3c2)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.37
GRM5 P41594 1/20 0.34
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
FLT3 P36888 2/20 0.32
SYK P43405 1/20 0.32
TACR1 P25103 2/20 0.32
KIF11 P52732 2/20 0.32
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30

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
SCHEMBL19913163 0.95 RXRA (0.36) MAPK14GRM5RXRARXRGGPBAR1
SCHEMBL19913165 0.94 MAPK14 (0.37) MAPK14GRM5RXRARXRGGPBAR1
SCHEMBL19919701 0.94 RXRA (0.35) MAPK14GRM5RXRARXRGGPBAR1
SCHEMBL19908933 0.93 MAPK14 (0.37) MAPK14RXRARXRGGPBAR1PSEN1
SCHEMBL19912499 0.93 RXRA (0.36) GRM5RXRARXRGPSEN1PSEN2
SCHEMBL19912503 0.92 RXRA (0.36) GRM5RXRARXRGPSEN1PSEN2
SCHEMBL19908944 0.91 MAPK14 (0.41) MAPK14GRM5FLT3
SCHEMBL19917940 0.90 RXRA (0.36) GRM5RXRARXRGSYKTACR1
SCHEMBL19912492 0.90 AR (0.36) RXRARXRGPSEN1PSEN2APH1B
SCHEMBL22822129 0.90 RXRA (0.38) GRM5RXRARXRGPSEN1PSEN2

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-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed