SCHEMBL27615544

SCHEMBL27615544

CC(C)(C)C(=O)ON1CCN(c2cccc([N+](=O)[O-])c2OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
ENPP2 Q13822 4/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
GRM5 P41594 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4678045 0.85 MAPT (0.50) MAPTALDH1A1ENPP2KMT2AMEN1
SCHEMBL28025616 0.83 HTT (0.53) MAPTALDH1A1HTTENPP2KMT2A
SCHEMBL27716544 0.76 MAPT (0.42) MAPTALDH1A1HTTKMT2AMEN1
Tert-Butyl Formate SCHEMBL27615545 0.76 HTR6 (0.48) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL28752031 0.73 ALDH1A1 (0.69) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL27737427 0.73 MAPT (0.42) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL27388637 0.71 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6276534 0.71 MEN1 (0.47) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL6677643 0.71 ALDH1A1 (0.47) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL13100981 0.71 MAPT (0.48) MAPTALDH1A1HTTENPP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100390157-C Substituted benzo (58743) HOFFMANN LA ROCHE (CH) 2008-05-28 CN disclosed
CN-1723205-A Substituted benzoxazinones and uses thereof HOFFMANN LA ROCHE (CH) 2006-01-18 CN disclosed