SCHEMBL28569205

SCHEMBL28569205

ClC1=CCCc2ccc(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP1 P09874 1/20 0.43
PNMT P11086 2/20 0.35
ASIC3 Q9UHC3 1/20 0.35
CHEK2 O96017 1/20 0.34
ROS1 P08922 1/20 0.34
MARK3 P27448 1/20 0.34
LTK P29376 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
AURKB Q96GD4 1/20 0.34
PBK Q96KB5 1/20 0.34
STK17A Q9UEE5 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
TYMS P04818 2/20 0.34
METAP1 P53582 1/20 0.33
S100A4 P26447 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
SCHEMBL9483990 0.77 PARP10 (0.43) PARP10TDP1L3MBTL1PARP1PNMT
SCHEMBL598138 0.74 TDP1 (0.61) PARP10TDP1L3MBTL1PARP1PNMT
SCHEMBL22685320 0.73 TDP1 (0.38) PARP10TDP1L3MBTL1PARP1TDP2
SCHEMBL769170 0.73 PARP10 (0.40) PARP10TDP1L3MBTL1PARP1PNMT
SCHEMBL6097069 0.73 PARP10 (0.40) PARP10TDP1L3MBTL1PARP1PNMT
SCHEMBL27710326 0.73 PARP10 (0.44) PARP10TDP1L3MBTL1PARP1PNMT
SCHEMBL14059486 0.72 TDP1 (0.54) PARP10TDP1L3MBTL1PARP1TYMS
SCHEMBL31375435 0.71 CES1 (0.43) PARP10L3MBTL1PARP1PARP11
SCHEMBL6244296 0.71 CES1 (0.43) PARP10L3MBTL1PARP1PARP11
SCHEMBL29582639 0.71 MAOB (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979412-B Preparation method of 7-bromo-1-chloronaphthalene 江苏丽源医药有限公司 2022-06-14 CN claimed
CN-112979412-A Preparation method of 7-bromo-1-chloronaphthalene 江苏丽源医药有限公司 2021-06-18 CN claimed
CN-112979412-B Preparation method of 7-bromo-1-chloronaphthalene 江苏丽源医药有限公司 2022-06-14 CN disclosed
CN-112979412-B Preparation method of 7-bromo-1-chloronaphthalene 江苏丽源医药有限公司 2022-06-14 CN disclosed
CN-112979412-A Preparation method of 7-bromo-1-chloronaphthalene 江苏丽源医药有限公司 2021-06-18 CN disclosed
CN-112979412-A Preparation method of 7-bromo-1-chloronaphthalene 江苏丽源医药有限公司 2021-06-18 CN disclosed