SCHEMBL7309718

SCHEMBL7309718

CC(O)c1cc(OCCC(C(N)=O)N2CCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ATM Q13315 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35

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
SCHEMBL7311157 0.95 ATM (0.41) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7314872 0.87 NPC1 (0.40) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7321016 0.85 ALDH1A1 (0.38) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7316814 0.82 NPC1 (0.42) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7309728 0.82 MAPK1 (0.38) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7318298 0.82 KDM4E (0.45) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7314547 0.81 KDM4E (0.46) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7311396 0.80 ATM (0.41) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7309722 0.78 SIRT3 (0.44) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL7319259 0.75 ATM (0.38) ALDH1A1MAPK1MAPTMEN1KMT2A

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