SCHEMBL7209093

SCHEMBL7209093

C[C@H](NOCc1ccc(Cl)cc1)C(=O)OP(N)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA9 Q16790 3/20 0.60
MMP2 P08253 2/20 0.60
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL4265208 0.87 NPC1 (0.47) CA1CA2CA9MMP2RAB9A
SCHEMBL7214212 0.87 NPC1 (0.47) CA1CA2CA9MMP2RAB9A
SCHEMBL7208493 0.77 HDAC3 (0.49) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL1808359 0.76 CA1 (0.50) CA1CA2CA9MMP2RAB9A
SCHEMBL4273425 0.76 CA1 (0.50) CA1CA2CA9MMP2RAB9A
SCHEMBL4282703 0.76 CA1 (0.46) CA1CA2CA9MMP2RAB9A
SCHEMBL27536452 0.76 CA1 (0.46) CA1CA2CA9MMP2RAB9A
SCHEMBL4282571 0.76 CA1 (0.46) CA1CA2CA9MMP2RAB9A
SCHEMBL7701970 0.76 NPC1 (0.45) CA1CA2CA9MMP2RAB9A
SCHEMBL5142558 0.76 NPC1 (0.45) CA1CA2CA9MMP2RAB9A

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
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP claimed