SCHEMBL20006922

SCHEMBL20006922

Cc1cc(-c2ccccc2)cc(F)c1C#Cc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 3/20 0.37
AKR1C3 P42330 4/20 0.33
AKR1C2 P52895 4/20 0.33
KAT6A Q92794 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KAT7 O95251 1/20 0.33
KAT6B Q8WYB5 1/20 0.33
KAT5 Q92993 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
AKR1C4 P17516 2/20 0.32
AKR1C1 Q04828 2/20 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
SCHEMBL20006881 0.97 MEN1 (0.40) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20006668 0.94 MEN1 (0.35) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20004910 0.91 GRM5 (0.33) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20005223 0.90 GRM5 (0.34) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20006757 0.88 TNKS (0.40) GRM5AKR1C3AKR1C2ALOX5APFEN1
SCHEMBL20004795 0.88 GRM5 (0.34) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL19999441 0.86 GRM5 (0.34) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20004646 0.85 KDM1A (0.31)
SCHEMBL20005288 0.85 PDE3B (0.32) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B10
SCHEMBL20005289 0.84 AKR1C3 (0.33) GRM5AKR1C3AKR1C2AKR1C4AKR1C1

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