SCHEMBL10696434

SCHEMBL10696434

CC(C)(CN)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
KAT2B Q92831 2/20 0.53
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
TP53 P04637 1/20 0.48
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 4/20 0.43
KCNMA1 Q12791 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9806386 0.84 PDK1 (0.54) KMT2AMEN1KAT2BPDK1PDK2
SCHEMBL14247107 0.84 KMT2A (0.49) KMT2AMEN1KAT2BPDK1PDK2
SCHEMBL10868680 0.84 MEN1 (0.49) KMT2AMEN1KAT2BPDK1PDK2
SCHEMBL677655 0.81 MAPK1 (0.55) KMT2AMEN1KAT2BPDK1PDK2
SCHEMBL13729342 0.80 KMT2A (0.53) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL24187914 0.75 PDK1 (0.55) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL10359712 0.75 MAPK1 (0.53) KMT2AMEN1KAT2BPDK1PDK2
SCHEMBL22716911 0.74 KAT2B (0.56) KMT2AMEN1KAT2BPDK1PDK2
SCHEMBL11657337 0.74 PDK1 (0.54) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL29631845 0.74 MAPK1 (0.47) KMT2AMEN1KAT2BPDK1PDK2

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-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 EP disclosed