SCHEMBL28574383

SCHEMBL28574383

NC(=O)Cn1ccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
ALDH1A1 P00352 2/20 0.37
AKR1B1 P15121 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
OGG1 O15527 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
GSK3B P49841 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL4602946 0.72 CA12 (0.51) CA12CA1CA2CA9AKR1B1
SCHEMBL30211545 0.71 CA12 (0.46) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL20709926 0.69 KMT2A (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL4960220 0.67 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL1259804 0.66
SCHEMBL28125101 0.63
SCHEMBL1140165 0.63 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL11503583 0.62 AKR1B1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL3736615 0.61 CA12 (0.41) CA12CA1CA2CA9KMT2A
SCHEMBL14689475 0.60 TSPO (0.54) SMN1; SMN2LMNA

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-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN disclosed