SCHEMBL20004824

SCHEMBL20004824

Cc1ccc(-c2ccc(-c3cc(C)c(C#Cc4ccc(-c5ccc(C)cc5F)c(F)c4)c(F)c3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.35
GRM5 P41594 3/20 0.34
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL20004823 0.89 RARB (0.32) KDM1AFFAR1FFAR4
SCHEMBL20006872 0.89 RARB (0.35) KDM1AGRM5FFAR1FFAR4
SCHEMBL20004795 0.88 GRM5 (0.34) KDM1AGRM5PDE3BPDE3AMEN1
SCHEMBL20004646 0.88 KDM1A (0.31) KDM1APDE3BPDE3A
SCHEMBL20005223 0.88 GRM5 (0.34) GRM5PDE3BPDE3AMEN1KMT2A
SCHEMBL20004905 0.88 ESR1 (0.34) KDM1AGRM5PDE3BPDE3A
SCHEMBL20004910 0.87 GRM5 (0.33) GRM5PDE3BPDE3AMEN1KMT2A
SCHEMBL20005289 0.84 AKR1C3 (0.33) GRM5PDE3BPDE3AAKR1C3AKR1C2
SCHEMBL20005209 0.84 MCHR1 (0.36) KDM1AGRM5
SCHEMBL20005221 0.83 GRM5 (0.37) GRM5MEN1KMT2AATML3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed