SCHEMBL6237002

SCHEMBL6237002

Cc1ccc2ccsc2c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
GPR35 Q9HC97 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
NR4A1 P22736 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
DAO P14920 1/20 0.36
FEN1 P39748 5/20 0.36
AXL P30530 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
GSK3B P49841 1/20 0.33
ERCC5 P28715 1/20 0.33

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
SCHEMBL6233852 0.79 CA12 (0.43) GPR35DAOFEN1CYP2A6ERCC5
SCHEMBL3807870 0.78 FEN1 (0.37) GPR35DAOFEN1CYP2A6ERCC5
SCHEMBL5600660 0.77 CA9 (0.50) FEN1L3MBTL1ALDH1A1MAPK1ERCC5
SCHEMBL8184428 0.76 KDM4E (0.44) TDP1MAPTFEN1ALDH1A1MAPK1
SCHEMBL15515690 0.74 MEN1 (0.43) TDP1POLBGPR35MEN1MAPT
SCHEMBL26937036 0.72 ALDH1A1 (0.37) POLBGPR35MEN1MAPTRECQL
SCHEMBL22025583 0.72 CYP2A6 (0.34) CYP2A6
SCHEMBL3392120 0.72 TDP1 (0.48) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL7144245 0.71 TDP1 (0.46) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8404360 0.71 CYP2A6 (0.38) L3MBTL1CYP2A6SMN1; SMN2PKM

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