SCHEMBL7313259

SCHEMBL7313259

CN(C(=O)COc1ccc([N+](=O)[O-])c(C=O)c1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.43
BACE1 P56817 1/20 0.42
STAT3 P40763 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRK1 P41145 1/20 0.38

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
SCHEMBL7309568 0.90 PDE3B (0.47) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL10376732 0.88 PDE3B (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL7312404 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL7317629 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL10375666 0.82 PDE3B (0.47) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL10374565 0.80 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL11013555 0.79 BACE1 (0.46) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL7318422 0.79 BACE1 (0.46) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL10374567 0.78 MEN1 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
Hydrochloric Acid SCHEMBL7306561 0.78 BACE1 (0.45) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1

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