SCHEMBL29206352

SCHEMBL29206352

O=C(Nc1ccc([N+](=O)[O-])cc1)C(O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
MITF O75030 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 5/20 0.52
ALOX12 P18054 2/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 2/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MGLL Q99685 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL29206349 1.00 MEN1 (0.59) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL11588542 0.85 POLB (0.62) MEN1KMT2APOLBMAPTHPGD
SCHEMBL6717026 0.84 MEN1 (0.57) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL29521360 0.82 POLB (0.68) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL19954280 0.82 POLB (0.68) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL8337821 0.81 MEN1 (0.55) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL6717493 0.81 MEN1 (0.55) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL28002396 0.78 ALDH1A1 (0.58) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL11763994 0.78 KMT2A (0.59) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL700858 0.78 KMT2A (0.59) MEN1KMT2ANPC1RAB9AMITF

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-114539084-B Preparation method of mirabegron and intermediate thereof 威智医药股份有限公司 2024-04-02 CN disclosed