SCHEMBL20006681

SCHEMBL20006681

Cc1cccc(F)c1C#Cc1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 3/20 0.33
FFAR4 Q5NUL3 2/20 0.33
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL20006881 0.83 MEN1 (0.40) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL19999441 0.81 GRM5 (0.34) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL20006922 0.81 MEN1 (0.39) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL20004795 0.80 GRM5 (0.34) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL20005223 0.80 GRM5 (0.34) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL20006757 0.80 TNKS (0.40) GRM5ALOX5APFEN1
SCHEMBL20004910 0.79 GRM5 (0.33) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL20006683 0.79 GRM5 (0.31) GRM5
SCHEMBL20006923 0.77 AKR1C3 (0.30) GRM5ALOX5APFEN1
SCHEMBL20006668 0.76 MEN1 (0.35) GRM5MEN1KMT2AATML3MBTL1

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-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed