SCHEMBL6282207

SCHEMBL6282207

CCOC(=O)/C=C/c1nn(C(=O)OC(C)(C)C)c2ccc(OCC)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
BRD4 O60885 1/20 0.37
ELANE P08246 4/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
XPO1 O14980 1/20 0.36
PDE4B Q07343 1/20 0.36
TTR P02766 1/20 0.35
DPP4 P27487 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAP2K4 P45985 1/20 0.35
POLB P06746 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
SCHEMBL6282211 1.00 SRC (0.37) SRCBRD4ELANEMAPTALDH1A1
SCHEMBL5952166 0.92 BRD4 (0.37) SRCBRD4ELANEMAPTALDH1A1
SCHEMBL5952161 0.92 BRD4 (0.37) SRCBRD4ELANEMAPTALDH1A1
SCHEMBL5953089 0.85 MAPT (0.38) SRCBRD4ELANEMAPTALDH1A1
SCHEMBL10126744 0.84 L3MBTL1 (0.46) ELANENPC1RAB9ACA12CA1
SCHEMBL5952034 0.81 PDE4B (0.40) BRD4ELANEMAPTALDH1A1PDE4B
SCHEMBL5952029 0.81 PDE4B (0.40) BRD4ELANEMAPTALDH1A1PDE4B
SCHEMBL5952979 0.79 MAPT (0.39) SRCBRD4ELANEMAPTALDH1A1
SCHEMBL15149187 0.75 NPC1 (0.38) ELANEMAPTALDH1A1TTRDPP4
SCHEMBL28266630 0.73 LSS (0.37) BRD4ELANEHPGDMAP2K4

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
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed