SCHEMBL16772007

SCHEMBL16772007

N#CC(C#N)=c1cc/c(=C(/C#N)c2c(F)c(F)c(C#N)c(F)c2F)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.34
KDM1A O60341 1/20 0.32
ADORA1 P30542 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
APP P05067 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
SCHEMBL16772116 0.91
SCHEMBL16772022 0.89 CTSS (0.36) ALDH1A1SMN1; SMN2ADORA1PTGDR2
SCHEMBL16772100 0.89 ADORA2A (0.33) ALDH1A1SMN1; SMN2ADORA1
SCHEMBL16771958 0.87 AR (0.33) ALDH1A1MAPTKIF11
SCHEMBL16772091 0.87 AR (0.32) SMN1; SMN2
SCHEMBL16771957 0.87 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL16772033 0.86 ADORA1 (0.33) ALDH1A1ADORA1
SCHEMBL16772107 0.84 KDM1A (0.30) KDM1A
SCHEMBL16772115 0.84
SCHEMBL16772092 0.84 KDM1A (0.31) KDM1A

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-20150155490-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed