SCHEMBL7314547

SCHEMBL7314547

CC(O)c1cc(OCCC(C(N)=O)N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 8/20 0.39
MAPT P10636 5/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPK1 P28482 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7318298 0.99 KDM4E (0.45) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7307151 0.85 KDM4E (0.47) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7318453 0.84 KDM4E (0.46) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7318382 0.83 KDM4E (0.45) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7320419 0.82 KDM4E (0.44) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7311157 0.81 ATM (0.41) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7309718 0.81 ALDH1A1 (0.38) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7314556 0.79 SMN1; SMN2 (0.40) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7318308 0.78 NPC1 (0.39) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7314553 0.78 KDM4E (0.48) 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