SCHEMBL20005223

SCHEMBL20005223

Cc1ccc(-c2cc(C)c(C#Cc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
RPS6KA3 P51812 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
SCHEMBL20004910 0.99 GRM5 (0.33) GRM5PDE3BPDE3AMEN1KMT2A
SCHEMBL20004646 0.92 KDM1A (0.31) PDE3BPDE3A
SCHEMBL20005288 0.92 PDE3B (0.32) PDE3BPDE3ARPS6KA3
SCHEMBL20004795 0.92 GRM5 (0.34) GRM5PDE3BPDE3AMEN1KMT2A
SCHEMBL20006922 0.90 MEN1 (0.39) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL20005252 0.90 PDE3B (0.33) PDE3BPDE3ARPS6KA3
SCHEMBL20006881 0.90 MEN1 (0.40) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL20004620 0.89 CYP11B1 (0.31)
SCHEMBL19999441 0.88 GRM5 (0.34) GRM5PDE3BPDE3AMEN1KMT2A
SCHEMBL20004824 0.88 KDM1A (0.35) GRM5PDE3BPDE3AMEN1KMT2A

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