SCHEMBL20006668

SCHEMBL20006668

Cc1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3F)cc2F)cc(F)c1C#Cc1cc(F)c(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKR1C3 P42330 4/20 0.34
AKR1C2 P52895 4/20 0.34
GRM5 P41594 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
DHODH Q02127 2/20 0.33
AKR1C4 P17516 2/20 0.33
AKR1C1 Q04828 2/20 0.33
AKR1B10 O60218 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
KAT6A Q92794 2/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 2/20 0.32
FABP2 P12104 1/20 0.32
TSHR P16473 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
SCHEMBL20006922 0.94 MEN1 (0.39) MEN1KMT2AATML3MBTL1AKR1C3
SCHEMBL20005288 0.91 PDE3B (0.32) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B10
SCHEMBL20006757 0.91 TNKS (0.40) AKR1C3AKR1C2GRM5ALOX5APFEN1
SCHEMBL20006881 0.91 MEN1 (0.40) MEN1KMT2AATML3MBTL1AKR1C3
SCHEMBL20005289 0.87 AKR1C3 (0.33) AKR1C3AKR1C2GRM5AKR1C4AKR1C1
SCHEMBL20006746 0.87 TNKS (0.40) ALOX5APFEN1DHODHTNKSTNKS2
SCHEMBL20005252 0.86 PDE3B (0.33)
SCHEMBL20004910 0.85 GRM5 (0.33) MEN1KMT2AATML3MBTL1AKR1C3
SCHEMBL20005223 0.84 GRM5 (0.34) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20004795 0.84 GRM5 (0.34) MEN1KMT2AATML3MBTL1AKR1C3

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