SCHEMBL4157024

SCHEMBL4157024

CCCCCC(O)Nc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 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
SCHEMBL9388712 0.87 MAPT (0.41) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL22749314 0.82 MAPT (0.38) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL29508377 0.82 MAPT (0.38) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL22749268 0.82 MAPT (0.36) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL22749267 0.82 MAPT (0.36) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL29508422 0.82 MAPT (0.36) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL4654569 0.81 MAPT (0.45) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL8596001 0.80 SMN1; SMN2 (0.49) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL10587724 0.79 SMN1; SMN2 (0.51) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL9602005 0.79 SMN1; SMN2 (0.51) MAPTALDH1A1GAALMNAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
EP-1687307-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051317-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 WO disclosed