SCHEMBL7318455

SCHEMBL7318455

CC(=O)c1cc(OCCCC(=O)NN2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAOB P27338 8/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7307157 0.99 KDM4E (0.48) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7317898 0.91 MAPT (0.53) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7309450 0.88 MAPT (0.52) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7318303 0.84 KDM4E (0.47) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7314553 0.83 KDM4E (0.48) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7320429 0.83 KDM4E (0.45) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7318387 0.82 KDM4E (0.46) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7314876 0.81 MAOB (0.44) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL12238285 0.77 MAPT (0.49) KDM4EMEN1KMT2AHTTMAPT
SCHEMBL7316021 0.76 ALDH1A1 (0.49) KDM4EMEN1KMT2AHTTNPC1

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed