SCHEMBL29110692

SCHEMBL29110692

O=[N+]([O-])c1ccc(Nc2ccccc2CCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
TSHR P16473 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
CXCR2 P25025 1/20 0.48
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GFER P55789 1/20 0.44
POLB P06746 2/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL28339791 0.88 L3MBTL1 (0.57) L3MBTL1HPGDALOX12CXCR2KMT2A
SCHEMBL11343393 0.83 L3MBTL1 (0.59) L3MBTL1HPGDALOX12CXCR2KMT2A
SCHEMBL7165547 0.81 L3MBTL1 (0.57) L3MBTL1HPGDALOX12CXCR2KMT2A
SCHEMBL15993986 0.79 TSHR (0.58) TSHRHDAC6KMT2AMEN1MAPT
SCHEMBL28549525 0.79 FABP4 (0.47) L3MBTL1HPGDALOX12TSHRKMT2A
Nitrobenzene SCHEMBL28045073 0.77 MAPT (0.46) TSHRHDAC6KMT2AMEN1MAPT
SCHEMBL28436702 0.77 CRHBP (0.51) TSHRHDAC6KMT2AMEN1MAPT
SCHEMBL28978391 0.77 CA2 (0.51) TSHR
SCHEMBL5786086 0.76 PTGS2 (0.41) L3MBTL1KMT2AMEN1MAPTMAPK1
SCHEMBL31310616 0.76 MAPKAPK2 (0.48) L3MBTL1KMT2AMEN1MAPTMAPK1

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-117069600-A Preparation method of mirabegron intermediate 杭州煌森生物科技有限公司 2023-11-17 CN disclosed