SCHEMBL5690889

SCHEMBL5690889

CC(=O)NC(C(C)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
MME P08473 2/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL5690295 0.84 ALDH1A1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5690176 0.82 HDAC3 (0.39) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL14064133 0.75 MME (0.49) MTNR1AMTNR1BMMEACACBACACA
SCHEMBL5690880 0.73 KDM4E (0.45) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28864232 0.73 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2329884 0.73 MME (0.51) MEN1KMT2ALMNASMN1; SMN2MTNR1A
SCHEMBL2331132 0.73 MME (0.51) MEN1KMT2ALMNASMN1; SMN2MTNR1A
SCHEMBL5691728 0.73 MTNR1A (0.47) ALDH1A1KDM4ELMNAMTNR1AMTNR1B
SCHEMBL540666 0.71 ACACB (0.65) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL640385 0.71 ACACB (0.65) ALDH1A1KDM4EMEN1KMT2ALMNA

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
EP-1641740-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-04-05 EP disclosed
WO-2004103951-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 WO disclosed