SCHEMBL3884044

SCHEMBL3884044

Nc1nc2ccc(-c3ccccc3OCc3ccc(C(F)(F)F)cc3)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.52
EPHX2 P34913 1/20 0.52
CYP3A4 P08684 4/20 0.51
PI4KA P42356 7/20 0.47
PI4KB Q9UBF8 7/20 0.47
PIK3CA P42336 7/20 0.47
PIK3CD O00329 7/20 0.47
PIK3CG P48736 6/20 0.47
PIK3CB P42338 5/20 0.47
PIP5K1C O60331 2/20 0.44
MAPK14 Q16539 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3883688 0.82 PPARD (0.45) SCN4AEPHX2CYP3A4PI4KAPI4KB
SCHEMBL17969171 0.77 SCN4A (0.77) SCN4AEPHX2CYP3A4PI4KAPI4KB
SCHEMBL1853965 0.75 CYP3A4 (0.62) CYP3A4PI4KAPI4KBPIK3CAPIK3CD
SCHEMBL25261274 0.75 PIK3CA (0.60) SCN4AEPHX2CYP3A4PI4KAPI4KB
SCHEMBL31347459 0.75 PI4KA (0.60) CYP3A4PI4KAPI4KBPIK3CAPIK3CD
SCHEMBL31114755 0.75 PIK3CA (0.60) SCN4AEPHX2CYP3A4PI4KAPI4KB
SCHEMBL3883099 0.73 FFAR4 (0.47) CYP3A4PIK3CAKCNH2TP53
SCHEMBL13762819 0.72 RXRA (0.48) RXRARXRBRXRG
SCHEMBL1417399 0.71 SCN4A (1.00) SCN4AEPHX2CYP3A4PI4KAPI4KB
SCHEMBL3882518 0.71 TRPA1 (0.58) RXRARXRBRXRGSCN9A

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-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed