SCHEMBL5806375

SCHEMBL5806375

O=C(N1N=CC=Cc2ccccc21)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN4A P35499 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
P2RX4 Q99571 14/20 0.36
P2RX1 P51575 5/20 0.36
P2RX3 P56373 5/20 0.36
P2RX7 Q99572 2/20 0.33
PTBP1 P26599 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RIPK1 Q13546 1/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 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
SCHEMBL5068751 0.81 P2RX4 (0.42) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL2979170 0.80 P2RX4 (0.42) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL7334705 0.80 LMNA (0.51) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3100027 0.77 P2RX4 (0.54) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL15865153 0.76 LMNA (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL11741313 0.76 P2RX4 (0.43) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL27285585 0.76 LMNA (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL6994927 0.75 BCHE (0.43) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL7339446 0.73 LMNA (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL10653232 0.72 LMNA (0.39) LMNATSHRMAPK1SCN4ASCN5A

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
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO claimed