SCHEMBL20006757

SCHEMBL20006757

Cc1cc(-c2ccc(-c3ccccc3F)cc2F)cc(F)c1C#Cc1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
FEN1 P39748 8/20 0.38
ALOX5AP P20292 6/20 0.38
DHODH Q02127 2/20 0.34
PDK2 Q15119 1/20 0.34
ACMSD Q8TDX5 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
BACE1 P56817 1/20 0.32
TRPA1 O75762 1/20 0.32
GRM5 P41594 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 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
SCHEMBL20006746 0.95 TNKS (0.40) TNKSTNKS2PTPRCPTPN1FEN1
SCHEMBL20006668 0.91 MEN1 (0.35) TNKSTNKS2FEN1ALOX5APDHODH
SCHEMBL20005289 0.88 AKR1C3 (0.33) AKR1C3AKR1C2GRM5
SCHEMBL20006943 0.88 TNKS (0.40) TNKSTNKS2PTPRCPTPN1FEN1
SCHEMBL20006922 0.88 MEN1 (0.39) TNKSTNKS2FEN1ALOX5APAKR1C3
SCHEMBL20005288 0.87 PDE3B (0.32) AKR1C3AKR1C2
SCHEMBL20004795 0.85 GRM5 (0.34) AKR1C3AKR1C2GRM5
SCHEMBL20006881 0.85 MEN1 (0.40) AKR1C3AKR1C2GRM5
SCHEMBL20004915 0.84 PDE3B (0.33) AKR1C3AKR1C2
SCHEMBL20004910 0.84 GRM5 (0.33) AKR1C3AKR1C2GRM5

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