SCHEMBL20006881

SCHEMBL20006881

Cc1cc(-c2ccccc2)cc(F)c1C#Cc1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 3/20 0.38
KAT6A Q92794 3/20 0.34
KAT7 O95251 2/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
KAT6B Q8WYB5 1/20 0.34
KAT5 Q92993 1/20 0.34
PTGS1 P23219 3/20 0.32
LMNA P02545 3/20 0.32
PTGS2 P35354 2/20 0.32
CYP1A2 P05177 2/20 0.32
FABP2 P12104 1/20 0.32
TSHR P16473 1/20 0.32
AKR1C4 P17516 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 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 0.97 MEN1 (0.39) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20006668 0.91 MEN1 (0.35) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20005223 0.90 GRM5 (0.34) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20004910 0.89 GRM5 (0.33) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20004795 0.85 GRM5 (0.34) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20004646 0.85 KDM1A (0.31)
SCHEMBL20006757 0.85 TNKS (0.40) GRM5AKR1C3AKR1C2
SCHEMBL19999441 0.83 GRM5 (0.34) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20006681 0.83 GRM5 (0.38) MEN1KMT2AATML3MBTL1GRM5
SCHEMBL20006858 0.82 EPM2A (0.30)

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