SCHEMBL28290358

SCHEMBL28290358

O=[N+]([O-])c1cccc(S(=O)(=O)O)c1CC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HCAR3 P49019 1/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL28290356 1.00 KMT2A (0.43) KMT2AMEN1ALDH1A1HPGDMCOLN3
SCHEMBL336604 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1MCOLN3NPC1
SCHEMBL1694151 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1MCOLN3NPC1
SCHEMBL1787921 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1MCOLN3NPC1
SCHEMBL1720326 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1MCOLN3NPC1
SCHEMBL981024 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1MCOLN3NPC1
SCHEMBL981027 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1MCOLN3NPC1
SCHEMBL14991413 0.74 KMT2A (0.50) KMT2AMEN1ALDH1A1THRBSMN1; SMN2
SCHEMBL14991414 0.74 KMT2A (0.50) KMT2AMEN1ALDH1A1THRBSMN1; SMN2
SCHEMBL5633933 0.73 MAPT (0.37) KMT2AMEN1ALDH1A1L3MBTL1MAPT

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-109563103-A modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2019-04-02 CN disclosed