SCHEMBL4241713

SCHEMBL4241713

CCCCOC(=O)Nc1ncc(-c2cccc(C#Cc3ccccc3)c2)n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NR1H2 P55055 2/20 0.38
TSHR P16473 1/20 0.38
CNR2 P34972 1/20 0.38
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
P2RY12 Q9H244 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
VCP P55072 1/20 0.35
SLC5A1 P13866 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL4057052 0.93 DYRK3 (0.42) FGFR3ALDH1A1NR1H2TSHRRAB9A
SCHEMBL4231082 0.92 NR1H2 (0.41) ALDH1A1NR1H2TSHRCNR2RAB9A
SCHEMBL4232436 0.92 NR1H2 (0.36) FGFR3NR1H2CNR2RAB9AHPGD
SCHEMBL4232577 0.92 FGFR3 (0.39) FGFR3NR1H2CNR2RAB9AHPGD
SCHEMBL4056602 0.92 FGFR3 (0.39) FGFR3ALDH1A1NR1H2TSHRCNR2
SCHEMBL4063530 0.91 KDM4E (0.38) FGFR3ALDH1A1NR1H2TSHRCNR2
SCHEMBL4233651 0.89 PTGES (0.38) NR1H2CNR2PTGES
SCHEMBL4231079 0.86 ALDH1A1 (0.38) ALDH1A1NR1H2TSHRCNR2RAB9A
SCHEMBL4303398 0.86 CNR2 (0.38) NR1H2CNR2PTGES
SCHEMBL4068204 0.85 KDM4E (0.39) ALDH1A1NR1H2TSHRLMNACYP1A2

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