SCHEMBL20006663

SCHEMBL20006663

Cc1cc(-c2ccccc2)cc(F)c1C#Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
KCNH2 Q12809 1/20 0.37
GRM5 P41594 6/20 0.36
KAT6A Q92794 3/20 0.36
KAT7 O95251 2/20 0.35
KAT6B Q8WYB5 1/20 0.35
KAT5 Q92993 1/20 0.35
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
APP P05067 1/20 0.32
SQOR Q9Y6N5 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
SCHEMBL20004633 0.88 ACHE (0.39) MEN1KMT2AATML3MBTL1KCNH2
SCHEMBL20005221 0.83 GRM5 (0.37) MEN1KMT2AATML3MBTL1CYP1A1
SCHEMBL20004637 0.83 GRM5 (0.37) MEN1KMT2AATML3MBTL1CYP1A1
SCHEMBL15014205 0.83 CYP1A2 (0.43) MEN1KMT2AATML3MBTL1CYP1A1
SCHEMBL15014376 0.81 CYP1A2 (0.46) MEN1KMT2AATML3MBTL1CYP1A1
SCHEMBL20006881 0.81 MEN1 (0.40) MEN1KMT2AATML3MBTL1CYP1A1
SCHEMBL20006922 0.79 MEN1 (0.39) MEN1KMT2AATML3MBTL1CYP1A1
SCHEMBL19999422 0.78 TSHR (0.49) MEN1KMT2AFFAR1
SCHEMBL18674201 0.77 CYP1A1 (0.47) MEN1KMT2AATML3MBTL1CYP1A1
SCHEMBL20005246 0.77 ESR1 (0.36) MEN1KMT2AATML3MBTL1CYP1A2

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