SCHEMBL4085301

SCHEMBL4085301

NC(=S)N(CCO)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
MLYCD O95822 4/20 0.37
TKT P29401 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
GPBAR1 Q8TDU6 3/20 0.31
SCN9A Q15858 5/20 0.31
P2RX7 Q99572 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
MAP4K4 O95819 1/20 0.30
PIK3CA P42336 1/20 0.30
KCNH2 Q12809 1/20 0.30
MINK1 Q8N4C8 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
TRPA1 O75762 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
SCHEMBL4086338 0.78
SCHEMBL3969996 0.77 MLYCD (0.43) MLYCD
SCHEMBL4078040 0.71 KMT2A (0.42) MLYCDGPBAR1SCN9A
SCHEMBL3974584 0.71 MAPT (0.41) MLYCD
SCHEMBL3973752 0.68 ALDH1A1 (0.46)
SCHEMBL4096326 0.68 POLB (0.36) MLYCD
SCHEMBL11816669 0.68 ALDH1A1 (0.52)
SCHEMBL2307150 0.66 TRPV4 (0.48) TRPV4MRGPRX4MAP4K4PIK3CAKCNH2
SCHEMBL29827501 0.66 TRPV4 (0.48) TRPV4MRGPRX4MAP4K4PIK3CAKCNH2
SCHEMBL3972855 0.66 SMN1; SMN2 (0.47) MLYCD

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-2009053449-A1 THIAZOLES WHICH POTENTIATE AMPA RECEPTOR AND MEDICINAL USES THEREOF GLAXO GROUP LIMITED (GB) 2009-04-30 WO disclosed