SCHEMBL19913170

SCHEMBL19913170

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C(F)(F)F)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cc(C)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2-c2ccncc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAPK14 Q16539 3/20 0.33
GRM5 P41594 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
KIF11 P52732 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL19913165 0.94 MAPK14 (0.37) RXRARXRGPSEN1PSEN2APH1B
SCHEMBL19909109 0.93 RXRA (0.39) RXRARXRGPSEN1PSEN2APH1B
SCHEMBL19912506 0.92 RXRA (0.38) RXRARXRGPSEN1PSEN2APH1B
SCHEMBL19919701 0.91 RXRA (0.35) RXRARXRGPSEN1PSEN2APH1B
SCHEMBL19912496 0.91 RXRA (0.39) RXRARXRGPSEN1PSEN2APH1B
SCHEMBL19917941 0.91 RXRA (0.39) RXRARXRGPSEN1PSEN2APH1B
SCHEMBL19913163 0.90 RXRA (0.36) RXRARXRGPSEN1PSEN2APH1B
SCHEMBL19908959 0.90 GRM5 (0.39) MAPK14GRM5CSNK1A1CSNK1D
SCHEMBL22564367 0.89 RXRA (0.41) RXRARXRGPSEN1PSEN2APH1B
SCHEMBL19913292 0.89 RXRA (0.35) RXRARXRGPSEN1PSEN2APH1B

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