SCHEMBL9105419

SCHEMBL9105419

FC(F)(F)Oc1ccc(-c2n[nH]cc2CBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
SCN10A Q9Y5Y9 6/20 0.40
SCN5A Q14524 4/20 0.39
TRPA1 O75762 2/20 0.39
SCN9A Q15858 2/20 0.39
KCNH2 Q12809 3/20 0.38
GRK6 P43250 1/20 0.38
KDM5A P29375 1/20 0.37
IDO1 P14902 1/20 0.37
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
CACNA2D1 P54289 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28318754 0.78 SCN5A (0.45) NOTUMNISCHSCN10ASCN5ATRPA1
SCHEMBL9099576 0.77 NOTUM (0.41) NOTUMNISCHSCN10ASCN5ASCN9A
SCHEMBL28583866 0.76 ALOX15 (0.43) TRPA1IDO1
SCHEMBL6588599 0.76 NPC1 (0.55) KCNH2
SCHEMBL16201361 0.76 PRMT6 (0.45) NOTUMNISCHSCN10ASCN5ASCN9A
SCHEMBL16201185 0.74 PRMT6 (0.58) NOTUMNISCHSCN10ASCN5ASCN9A
SCHEMBL3637301 0.74 MAPT (0.48)
SCHEMBL6589442 0.74 NLRP3 (0.61)
SCHEMBL16696581 0.72 NOTUM (0.43) NOTUMNISCHSCN10ASCN5AKCNH2
SCHEMBL20191087 0.71 SCN5A (0.57) SCN5ASCN1ASCN2AL3MBTL1

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-2459571-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY Global Alliance For Tb Drug Development (US) 2012-06-06 EP disclosed