SCHEMBL4732740

SCHEMBL4732740

CN(CC(=O)O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
HCAR3 P49019 4/20 0.51
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL31083656 0.89 KMT2A (0.46) KMT2AHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL3491006 0.84 KMT2A (0.59) KMT2AHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL9463826 0.83 HCAR3 (0.59) KMT2AHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL4784927 0.80 KMT2A (0.52) KMT2AHCAR3ALDH1A1MAPTKDM4E
SCHEMBL1136193 0.79 HCAR3 (0.64) HCAR3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3054248 0.79 KMT2A (0.50) KMT2AHCAR3ALDH1A1MAPTLMNA
SCHEMBL21624300 0.79 MAPT (0.61) KMT2AMAPTLMNAMAPK1
SCHEMBL1135955 0.78 ATM (0.44) KMT2AHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL16540700 0.77 ATM (0.49) HCAR3MAPTLMNAKDM4EATM
SCHEMBL5740839 0.77 CYP1A2 (0.43) KMT2AALDH1A1MAPTSMN1; SMN2LMNA

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
WO-2008071981-A1 PIPERIDINES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed