SCHEMBL4057049

SCHEMBL4057049

CCCCOC(=O)Nc1ncc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.38
NPC1 O15118 8/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
CASP1 P29466 1/20 0.38
GAA P10253 1/20 0.37
FAAH O00519 1/20 0.37
MAPT P10636 6/20 0.37
HPGD P15428 5/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
GLA P06280 1/20 0.37
FGFR3 P22607 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 2/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL4238011 0.86 NR1H2 (0.37) RAB9AGAAFAAHHPGDKMT2A
SCHEMBL4242529 0.82 GABRG2 (0.38) RAB9ANPC1SMN1; SMN2CASP1GAA
SCHEMBL4232577 0.81 FGFR3 (0.39) RAB9ANPC1SMN1; SMN2GAAHPGD
SCHEMBL4231082 0.79 NR1H2 (0.41) RAB9ANPC1SMN1; SMN2GAAFAAH
SCHEMBL4057543 0.78 NR1H2 (0.36) RAB9ANPC1SMN1; SMN2CASP1GAA
SCHEMBL4237042 0.78 NR1H2 (0.38) RAB9ANPC1SMN1; SMN2CASP1GAA
SCHEMBL4065419 0.77 ALDH1A1 (0.33) RAB9ANPC1SMN1; SMN2GAAHPGD
SCHEMBL4243989 0.77 FFAR1 (0.36) GAAMAPTL3MBTL1
SCHEMBL13655241 0.77 SMN1; SMN2 (0.36) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4237855 0.76 NR1H2 (0.35) RAB9ANPC1SMN1; SMN2CASP1GAA

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-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed