SCHEMBL27486385

SCHEMBL27486385

CC(C)(C)NC(=O)Oc1cc(N2CCOC2=O)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 6/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CMA1 P23946 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL27500661 0.80 MAPT (0.43) ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL27485058 0.80 SMN1; SMN2 (0.35) ALDH1A1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7145848 0.79 ALDH1A1 (0.36) ALDH1A1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL27499445 0.78 MAPT (0.44) ALDH1A1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL27485066 0.78 SMN1; SMN2 (0.34) ALDH1A1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL27486384 0.77 CMA1 (0.35) ALDH1A1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL27500364 0.74 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTNPSR1LMNA
SCHEMBL27499149 0.73 LMNA (0.38) ALDH1A1MAPTNPSR1POLBLMNA
SCHEMBL27498855 0.72 MEN1 (0.34) ALDH1A1KMT2AMAPTNPSR1MEN1
SCHEMBL27539426 0.72 HCAR3 (0.37) ALDH1A1KMT2ASMN1; SMN2MAPTNPSR1

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-1195522-C Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2005-04-06 CN disclosed
CN-1379765-A Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed