Roxarsone

Roxarsone

SCHEMBL11204002

CCC[As](=O)(O)O.O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.75
L3MBTL1 Q9Y468 3/20 0.75
KDM4E B2RXH2 2/20 0.75
LMNA P02545 2/20 0.75
PHPT1 Q9NRX4 2/20 0.75
USP2 O75604 1/20 0.75
CYP2C19 P33261 1/20 0.75
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
GPR35 Q9HC97 1/20 0.44

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
Roxarsone SCHEMBL158026 0.87 MAPT (1.00) MAPTL3MBTL1KDM4ELMNAPHPT1
Roxarsone SCHEMBL28105454 0.87 MAPT (1.00) MAPTL3MBTL1KDM4ELMNAPHPT1
Roxarsone SCHEMBL29485898 0.87 MAPT (1.00) MAPTL3MBTL1KDM4ELMNAPHPT1
Roxarsone SCHEMBL27915909 0.85 MAPT (0.96) MAPTL3MBTL1KDM4ELMNAPHPT1
Roxarsone SCHEMBL20636782 0.85 MAPT (0.96) MAPTL3MBTL1KDM4ELMNAPHPT1
Roxarsone SCHEMBL28252051 0.74 MAPT (0.73) MAPTL3MBTL1KDM4ELMNAPHPT1
SCHEMBL2152808 0.69 LMNA (0.67) MAPTL3MBTL1KDM4ELMNAPHPT1
SCHEMBL1025224 0.68 CNR1 (0.55) MAPTL3MBTL1KDM4ELMNAPHPT1
SCHEMBL532862 0.68 CA12 (0.67) MAPTL3MBTL1KDM4ELMNAPHPT1
SCHEMBL1025776 0.67 POLB (0.56) MAPTL3MBTL1KDM4ELMNAPHPT1

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-0096130-A1 Process for the epoxidation of olefins EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-12-21 EP disclosed