SCHEMBL7317906

SCHEMBL7317906

CC(=O)c1cc(OC(CCC(N)=O)N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 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
SCHEMBL7318460 0.91 MAPT (0.42) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7307164 0.90 MAPT (0.41) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7316028 0.85 NPC1 (0.42) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7320158 0.84 NPC1 (0.40) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7314882 0.79 NPC1 (0.41) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7318308 0.76 NPC1 (0.39) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7314556 0.75 SMN1; SMN2 (0.40) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7318392 0.74 SMN1; SMN2 (0.39) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7317898 0.71 MAPT (0.53) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL7309450 0.71 MAPT (0.52) MAPTNPC1RAB9AALDH1A1KDM4E

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