SCHEMBL10868680

SCHEMBL10868680

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPK1 P28482 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CASP7 P55210 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
KAT2B Q92831 2/20 0.45
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL10696434 0.84 KMT2A (0.53) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL14247107 0.84 KMT2A (0.49) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL9806386 0.84 PDK1 (0.54) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL677655 0.81 MAPK1 (0.55) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL13729342 0.80 KMT2A (0.53) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL8884213 0.79 MAPT (0.50) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL29911655 0.78 POLB (0.46) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL24187914 0.75 PDK1 (0.55) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL10359712 0.75 MAPK1 (0.53) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL8884108 0.75 MAPT (0.53) MEN1KMT2AMAPK1L3MBTL1ALDH1A1

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-0185620-A2 Monoazo compounds CIBA-GEIGY AG (CH) 1986-06-25 EP disclosed