SCHEMBL1246261

SCHEMBL1246261

C[N]c1ccc(C(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
KCNH2 Q12809 3/20 0.35
PIK3CA P42336 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
DAO P14920 2/20 0.33
TKT P29401 1/20 0.32
HDAC4 P56524 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL16023759 0.79 TRPV4 (0.52) TRPV4KCNH2PIK3CAPI4KBMAP4K4
SCHEMBL19879960 0.79 TRPV4 (0.52) TRPV4KCNH2PIK3CAPI4KBMAP4K4
SCHEMBL30406321 0.75 TRPV4 (0.47) TRPV4KCNH2PIK3CAPI4KBMAP4K4
SCHEMBL16014037 0.75 TRPV4 (0.47) TRPV4KCNH2PIK3CAPI4KBMAP4K4
SCHEMBL3564553 0.75 TRPV4 (0.47) TRPV4KCNH2PIK3CAPI4KBMAP4K4
SCHEMBL17366564 0.72 TRPV4 (0.44) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL114542 0.71 TRPV4 (0.58) TRPV4KCNH2PIK3CAPI4KBMAP4K4
SCHEMBL130934 0.71 TRPV4 (0.58) TRPV4KCNH2PIK3CAPI4KBMAP4K4
SCHEMBL29421253 0.71 TRPV4 (0.58) TRPV4KCNH2PIK3CAPI4KBMAP4K4
SCHEMBL29497498 0.71 TRPV4 (0.58) TRPV4KCNH2PIK3CAPI4KBMAP4K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011014520-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-02-03 WO claimed
WO-2011014520-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-02-03 WO disclosed