SCHEMBL7815706

SCHEMBL7815706

O=[N+]([O-])CCP(=O)(Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ADAM17 P78536 1/20 0.47
CFTR P13569 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 8/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
ALPG P10696 1/20 0.38
ALOX12 P18054 1/20 0.38
NPY1R P25929 1/20 0.38
HTT P42858 1/20 0.38
NPY2R P49146 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 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
SCHEMBL11418157 0.74 CFTR (0.46) CFTRALDH1A1MAPTGAAALPG
SCHEMBL14246552 0.70 NPC1 (0.42) NPC1ADAM17CFTRALDH1A1MAPT
SCHEMBL7058663 0.69 CFTR (0.42) CFTRALDH1A1MAPTGAAALPG
SCHEMBL7058667 0.69 AOX1 (0.53) CFTRALDH1A1MAPTGAAALPG
SCHEMBL6572723 0.69 CFTR (0.44) CFTRALDH1A1MAPTGAAALPG
SCHEMBL28979738 0.68 ALDH1A1 (0.53) CFTRALDH1A1MAPTGAAALPG
SCHEMBL6894560 0.68 CFTR (0.45) CFTRALDH1A1MAPTGAAALPG
SCHEMBL264237 0.67 CNR1 (0.46) CYP3A4CYP2C19CYP1A2ALDH1A1ALOX12
SCHEMBL7364597 0.67 ALDH1A1 (0.48) CFTRALDH1A1MAPTGAAALPG
SCHEMBL27877604 0.67 CFTR (0.43) CFTRALDH1A1MAPTGAAALPG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716856-B1 Therapeutic uses of 2',5'-oligoadenylate derivatives UNIV TEMPLE (US) 2001-08-29 EP disclosed
EP-0420872-B1 THERAPEUTIC USES OF 2',5'-OLIGOADENYLATE DERIVATIVES UNIV TEMPLE (US) 1996-08-28 EP disclosed
EP-0716856-A2 Therapeutic uses of 2',5'-oligoadenylate derivatives Temple University of the Commonwealth System of Higher Education (US) 1996-06-19 EP disclosed
EP-0420872-A4 THERAPEUTIC USES OF 2',5'-OLIGOADENYLATE DERIVATIVES 1992-10-21 EP disclosed
EP-0420872-A1 THERAPEUTIC USES OF 2',5'-OLIGOADENYLATE DERIVATIVES. UNIV TEMPLE (US) 1991-04-10 EP disclosed