SCHEMBL20006943

SCHEMBL20006943

Cc1cc(-c2ccc(-c3ccccc3F)cc2F)cc(F)c1C#Cc1cc(F)c(-c2ccc(F)c(F)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
FEN1 P39748 5/20 0.35
ALOX5AP P20292 4/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
DHODH Q02127 2/20 0.34
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
GRM5 P41594 1/20 0.33
TRPA1 O75762 1/20 0.32
PDK2 Q15119 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PGR P06401 1/20 0.31

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 0.91 TNKS (0.40) TNKSTNKS2PTPRCPTPN1FEN1
SCHEMBL20004684 0.89 AKR1C3 (0.35) AKR1C3AKR1C2PDE3BPDE3AGRM5
SCHEMBL20006757 0.88 TNKS (0.40) TNKSTNKS2PTPRCPTPN1FEN1
SCHEMBL19999601 0.81 RARB (0.39) AKR1C3AKR1C2
SCHEMBL20004915 0.80 PDE3B (0.33) AKR1C3AKR1C2PDE3BPDE3A
SCHEMBL20006668 0.80 MEN1 (0.35) TNKSTNKS2FEN1ALOX5APAKR1C3
SCHEMBL20005252 0.79 PDE3B (0.33) PDE3BPDE3A
SCHEMBL20005243 0.77 PDE9A (0.33) PDE3BPDE3A
SCHEMBL20005289 0.77 AKR1C3 (0.33) AKR1C3AKR1C2PDE3BPDE3AGRM5
SCHEMBL20006922 0.76 MEN1 (0.39) TNKSTNKS2FEN1ALOX5APAKR1C3

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