SCHEMBL28291543

SCHEMBL28291543

Cc1scc(Br)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.46
DAO P14920 2/20 0.43
POLB P06746 2/20 0.42
RECQL P46063 2/20 0.42
APEX1 P27695 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALAD P13716 1/20 0.36

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
SCHEMBL4236884 0.79 POLB (0.44) GPR35DAOPOLBRECQLAPEX1
SCHEMBL5082936 0.77 TSHR (0.43) DAOPOLBRECQLAPEX1CASP6
SCHEMBL14638630 0.77 CYP3A4 (0.47) DAOPOLBRECQLAPEX1CASP6
SCHEMBL28209047 0.77 MAPT (0.59) POLBTDP1TSHRMAPT
SCHEMBL623033 0.76 TSHR (0.52) GPR35DAOTSHRCES2CES1
SCHEMBL13268517 0.76 POLB (0.41) GPR35DAOPOLBRECQLAPEX1
SCHEMBL1230762 0.76 TDP1 (0.41) GPR35DAOPOLBRECQLAPEX1
SCHEMBL8308963 0.76 DPP4 (0.43) DAOPOLBRECQLAPEX1CASP6
SCHEMBL1973884 0.74 GPR35 (0.47) GPR35POLBTDP1L3MBTL1TSHR
SCHEMBL25238207 0.74 GPR35 (0.43) GPR35POLBCTDSP1TDP1L3MBTL1

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
CN-110475776-A For preventing and treating the tricyclic carboxylic acid amides of arthropod BAYER CROPSCIENCE AG 2019-11-19 CN disclosed
CN-107074874-B ERK inhibitor 伊莱利利公司 2019-04-23 CN disclosed
CN-107074874-A Erk inhibitor 伊莱利利公司 2017-08-18 CN disclosed