SCHEMBL6233852

SCHEMBL6233852

O=C(O)c1c(O)ccc2ccsc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
DAO P14920 2/20 0.41
GPR35 Q9HC97 2/20 0.41
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
FEN1 P39748 9/20 0.36
ERCC5 P28715 3/20 0.36
CYP2A6 P11509 1/20 0.35
RNASEH1 O60930 1/20 0.34
PTPN11 Q06124 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL6237002 0.79 TDP1 (0.36) DAOGPR35FEN1ERCC5CYP2A6
SCHEMBL3807870 0.79 FEN1 (0.37) DAOGPR35FEN1ERCC5CYP2A6
SCHEMBL5600660 0.75 CA9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8184428 0.74 KDM4E (0.44) CA12CA9FEN1
SCHEMBL3933250 0.73 LDHA (0.47) DAOGPR35XDHSLC22A12
SCHEMBL1983341 0.72 KDM4E (0.47) CA12CA1CA2CA7CA9
SCHEMBL2971000 0.71 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL29419955 0.71 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL5453477 0.69 POLB (0.42) CYP2A6
SCHEMBL19753100 0.69 ESR1 (0.35) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945450-B1 FUSED HETEROCYCLIC BENZENECARBOXYLIC ACID AMIDE DERIVATIVES AND PGD2 ANTAGONISTS CONTAINING THE SAME SHIONOGI & CO (JP) 2005-05-11 EP disclosed
US-6069166-A INHIBITORY ACTIVITY AGAINST INFILTRATION OF EOSIONOPHILS, AND ARE USEFUL AS DRUGS FOR TREATING NASAL BLOCKAGE SHIONOGI & CO., LTD. (JP) 2000-05-30 US disclosed
EP-0945450-A1 FUSED HETEROCYCLIC BENZENECARBOXYLIC ACID AMIDE DERIVATIVES AND PGD2 ANTAGONISTS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1999-09-29 EP disclosed