SCHEMBL19628602

SCHEMBL19628602

Cc1ccc(Sc2cccc(F)c2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.42
ACHE P22303 2/20 0.42
TYMS P04818 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
NOTUM Q6P988 1/20 0.35
MGLL Q99685 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33
EPHX1 P07099 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NFE2L2 Q16236 1/20 0.33
SLC6A9 P48067 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL4126437 0.86 ACHE (0.40) ACHETYMS
SCHEMBL15075247 0.85 MAOA (0.43) ACHE
SCHEMBL20408990 0.82 KMT2A (0.40) ACHE
SCHEMBL22693473 0.82 HAO1 (0.46) HAO1ACHENOTUMMGLLEPHX1
SCHEMBL482240 0.82 HAO1 (0.55) HAO1ACHETYMSNOTUMEPHX1
SCHEMBL7938436 0.78 HAO1 (0.49) HAO1ACHENOTUMMGLLEPHX1
SCHEMBL775416 0.76 HAO1 (0.50) HAO1ACHENOTUMMGLLEPHX1
SCHEMBL4137051 0.73 ACHE (0.40) ACHE
SCHEMBL24156265 0.73 CYP3A4 (0.56) HAO1TYMSMGLLEPHX1
SCHEMBL4705053 0.73 NFE2L2 (0.51) HAO1NFE2L2SLC6A9

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
US-20170338507-A1 HALOGENATED COMPOUND, POLYMER COMPRISING SAME, AND POLYMER ELECTROLYTE MEMBRANE COMPRISING SAME LG CHEM, LTD. (KR) 2017-11-23 US disclosed