SCHEMBL28428346

SCHEMBL28428346

O=C(c1ccccc1)c1oc2ccccc2c1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
NPC1 O15118 7/20 0.66
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 6/20 0.59
AHR P35869 1/20 0.59
ALDH1A1 P00352 3/20 0.57
TSHR P16473 1/20 0.57
RAB9A P51151 6/20 0.56
PTPN1 P18031 2/20 0.56
ADORA2A P29274 1/20 0.56
CASP1 P29466 1/20 0.56
POLB P06746 1/20 0.51
TP53 P04637 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL1893714 0.84 KMT2A (0.49) MAPTNPC1KMT2ASMN1; SMN2AHR
SCHEMBL4604605 0.81 MAPT (0.68) MAPTNPC1KMT2ASMN1; SMN2AHR
SCHEMBL30608270 0.79 NPC1 (0.66) MAPTNPC1KMT2ASMN1; SMN2AHR
SCHEMBL429754 0.79 MAPT (1.00) MAPTNPC1KMT2ASMN1; SMN2AHR
SCHEMBL6382634 0.79 ALDH1A1 (0.53) MAPTNPC1KMT2ASMN1; SMN2AHR
SCHEMBL18702897 0.79 CA12 (0.47) MAPTNPC1KMT2ASMN1; SMN2AHR
SCHEMBL11492748 0.77 MAPT (0.62) MAPTNPC1KMT2ASMN1; SMN2AHR
SCHEMBL28250973 0.76 MAPT (0.60) MAPTNPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27716370 0.74 PTPN1 (0.66) MAPTNPC1KMT2ASMN1; SMN2AHR
SCHEMBL11579032 0.74 MAPT (0.63) MAPTNPC1KMT2ASMN1; SMN2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111420062-A Synergistic agent for benzodiazepine drugs 漳州卫生职业学院 2020-07-17 CN claimed
CN-115068437-B Preparation method of benzbromarone capsules 昆山龙灯瑞迪制药有限公司 2023-06-06 CN disclosed
CN-115068437-A Preparation method of benzbromarone capsule 昆山龙灯瑞迪制药有限公司 2022-09-20 CN disclosed
CN-111533718-B Method for preparing benzbromarone 浙江海洲制药有限公司 2022-05-17 CN disclosed
CN-114259485-A Application of benzbromarone in resisting staphylococcus aureus and biofilm infection thereof 华中科技大学协和深圳医院 2022-04-01 CN disclosed
CN-111533718-A Method for preparing benzbromarone 浙江海洲制药有限公司 2020-08-14 CN disclosed
CN-111420062-A Synergistic agent for benzodiazepine drugs 漳州卫生职业学院 2020-07-17 CN disclosed
CN-111420062-A Synergistic agent for benzodiazepine drugs 漳州卫生职业学院 2020-07-17 CN disclosed