SCHEMBL29009666

SCHEMBL29009666

O=c1ccccn1-c1ccccc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TLR9 Q9NR96 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
BRD4 O60885 1/20 0.31
BRPF1 P55201 1/20 0.31
KAT2B Q92831 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
F10 P00742 5/20 0.31
POLB P06746 2/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCD O00767 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19817380 0.75 PTGS1 (0.49) MGLLCA12CA9CA1CA2
SCHEMBL7971125 0.75 KDM4E (0.47) CA12CA9CA1CA2CA14
SCHEMBL16104143 0.75 MGLL (0.48) MGLLCA12CA9CA1CA2
SCHEMBL3305903 0.73 KDM4E (0.58) MGLLCA12CA9BRD4BRPF1
SCHEMBL1277801 0.72 FAAH (0.43) MGLLF10KDM4ECHRNB2CHRNB4
SCHEMBL4189773 0.72 GRIN2D (0.39) MGLLPOLBTDP1KDM4EGAA
SCHEMBL20918913 0.72 POLB (0.50) CA12CA9CA1CA2CA14
SCHEMBL28241799 0.71 MGLL (0.39) MGLLPOLBAPEX1TDP1L3MBTL1
SCHEMBL27388639 0.71 MGLL (0.39) MGLLPOLBAPEX1TDP1L3MBTL1
SCHEMBL29349037 0.71 CA12 (0.36) CA12CA9CA1CA2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010564-B Preparation method of o-iodophenyl compound 苏州大学 2024-03-19 CN disclosed
CN-115010564-A Preparation method of o-iodophenyl compound 苏州大学 2022-09-06 CN disclosed