SCHEMBL6185098

SCHEMBL6185098

O=C(O)C[C@H]([AsH2])c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ADORA1 P30542 4/20 0.39
CGAS Q8N884 4/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
FFAR1 O14842 1/20 0.36
ADORA2B P29275 1/20 0.35
CTSA P10619 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL4857411 0.82 POLB (0.40) POLBMAPTADORA1CGASADORA3
SCHEMBL4858686 0.82 POLB (0.40) POLBMAPTADORA1CGASADORA3
SCHEMBL16408073 0.75 ADAMTS4 (0.36) POLBMAPTADORA1CGASADORA3
SCHEMBL394264 0.72 CPA1 (0.49)
SCHEMBL5486443 0.72 SSTR3 (0.47) POLBMAPTCTSAMEN1KMT2A
SCHEMBL6958424 0.71 ADORA1 (0.39) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL1696579 0.71 ADORA1 (0.47) POLBMAPTADORA1ADORA3ADORA2A
SCHEMBL21245238 0.71 ADORA1 (0.43) MAPTADORA1CGASADORA3ADORA2A
SCHEMBL21245237 0.71 ADORA1 (0.43) MAPTADORA1CGASADORA3ADORA2A
SCHEMBL2341611 0.70 TACR3 (0.44) MAPTADORA1ADORA3ADORA2AADORA2B

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-1246807-B1 NOVEL HYDANTOIN, THIOHYDANTOIN, PYRIMIDINEDIONE AND THIOXOPYRIMIDINONE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES SOD CONSEILS RECH APPLIC (FR) 2005-11-02 EP disclosed