SCHEMBL8670879

SCHEMBL8670879

CC1CN(CCC(=O)c2ccc([N+](=O)[O-])cc2)CC(C)N1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
HTR1A P08908 2/20 0.52
SIGMAR1 Q99720 1/20 0.48
GSK3B P49841 1/20 0.46
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MMP8 P22894 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL7934866 0.99 KMT2A (0.52) KMT2AHTR1ASIGMAR1GSK3BHTT
Hydrochloric Acid SCHEMBL7930371 0.84 KMT2A (0.50) KMT2AHTR1ASIGMAR1HTTALDH1A1
Hydrochloric Acid SCHEMBL7929095 0.77 KMT2A (0.66) KMT2AHTR1AHTTALDH1A1KDM4E
SCHEMBL15131500 0.77 ALDH1A1 (0.51) KMT2AHTTALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL8089744 0.77 SIGMAR1 (0.43) KMT2ASIGMAR1HTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL907064 0.76 ALDH1A1 (0.64) KMT2AHTR1AHTTALDH1A1KDM4E
SCHEMBL3401703 0.75 GBA1 (0.54) SIGMAR1HTTALDH1A1KDM4EMAPK1
SCHEMBL378000 0.75 GBA1 (0.54) SIGMAR1HTTALDH1A1KDM4EMAPK1
Hydrochloric Acid SCHEMBL7932202 0.74 KMT2A (0.61) KMT2AHTR1AGSK3BHTTALDH1A1
Hydrochloric Acid SCHEMBL7930353 0.74 ALDH1A1 (0.67) KMT2AHTR1AHTTALDH1A1LMNA

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
US-5705501-A ADMINISTERING TO INHIBIT FORMATION OF ABNORMAL PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPES MOLECULAR GERIATRICS CORPORATION (US) 1998-01-06 US claimed