SCHEMBL29013232

SCHEMBL29013232

CC(=O)Nc1ccnc(Br)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK8 P45983 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PTK2 Q05397 1/20 0.43
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3C3 Q8NEB9 3/20 0.41
SORT1 Q99523 1/20 0.40
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL30311946 1.00 CYP1A2 (0.51) CYP1A2KDM4ELMNAL3MBTL1MAPK8
SCHEMBL20068960 0.79 SORT1 (0.54) CYP1A2KDM4ELMNAL3MBTL1MAPK8
SCHEMBL5632488 0.79 CYP1A2 (0.53) CYP1A2KDM4ELMNAL3MBTL1MAPK8
SCHEMBL4543263 0.79 CYP1A2 (0.56) CYP1A2KDM4ELMNAL3MBTL1MAPK8
SCHEMBL17541672 0.78 PTK2 (0.51) CYP1A2KDM4ELMNAL3MBTL1MAPK8
SCHEMBL15305788 0.78 HRH4 (0.52) CYP1A2KDM4ELMNAL3MBTL1MAPK8
SCHEMBL23015768 0.75 CYP1A2 (0.49) CYP1A2KDM4ELMNAL3MBTL1MAPK8
SCHEMBL30421381 0.75 CYP1A2 (0.49) CYP1A2KDM4ELMNAL3MBTL1MAPK8
SCHEMBL24714802 0.75 CYP1A2 (0.49) CYP1A2KDM4ELMNAL3MBTL1MAPK8
SCHEMBL29899021 0.74 L3MBTL1 (0.55) KDM4EL3MBTL1PIK3C3SORT1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850263-A 2, 7-disubstituted benzothiazole compound and application thereof 浙江工业大学 2023-03-28 CN disclosed