SCHEMBL5326191

SCHEMBL5326191

Cc1cc([N+](=O)[O-])c(C#N)cc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.52
ALDH1A1 P00352 7/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSB P07858 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL23759793 0.83 MAPT (0.59) MAPTALDH1A1HTTKMT2ACYP1A2
SCHEMBL21001151 0.80 MAPT (0.71) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL22942876 0.77 HTT (0.55) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL23153740 0.77 HTT (0.52) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL5327311 0.76 MAPK1 (0.55) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL6687266 0.76 MAPT (0.64) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL82777 0.76 MAPT (0.60) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL21561026 0.75 MAPK1 (0.57) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL5291433 0.75 MAPT (0.54) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL17921471 0.74 CYP1A2 (0.58) ALDH1A1CYP1A2CYP2C19KDM4ECYP2D6

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-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed