SCHEMBL584693

SCHEMBL584693

CN(C(=O)O)c1ccc(NCC2CCC(F)(F)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HCAR3 P49019 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
PTGER4 P35408 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL584692 1.00 ALDH1A1 (0.44) ALDH1A1TSHRTDP1MAPTMAPK1
SCHEMBL3972652 0.87 MAPT (0.51) ALDH1A1TSHRTDP1MAPTMAPK1
SCHEMBL3972651 0.87 MAPT (0.51) ALDH1A1TSHRTDP1MAPTMAPK1
SCHEMBL585142 0.86 HCAR3 (0.47) ALDH1A1TSHRTDP1MAPTMAPK1
SCHEMBL585141 0.86 HCAR3 (0.47) ALDH1A1TSHRTDP1MAPTMAPK1
SCHEMBL584659 0.83 PTGER4 (0.45) ALDH1A1MAPTHTTPTGER4
SCHEMBL4966167 0.82 MAPT (0.44) ALDH1A1TSHRTDP1MAPTMAPK1
SCHEMBL3915803 0.80 MAPT (0.43) ALDH1A1MAPTMAPK1HCAR3L3MBTL1
SCHEMBL3915802 0.80 MAPT (0.43) ALDH1A1MAPTMAPK1HCAR3L3MBTL1
SCHEMBL4967065 0.80 MAPT (0.48) ALDH1A1TSHRTDP1MAPTMAPK1

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-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed