SCHEMBL5202332

SCHEMBL5202332

COC(=O)Oc1cc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 3/20 0.49
DYRK1A Q13627 1/20 0.49
HTT P42858 3/20 0.43
KMT2A Q03164 7/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
PKM P14618 2/20 0.43
STAT1 P42224 1/20 0.42
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL5231561 0.89 SMN1; SMN2 (0.62) SMN1; SMN2LMNAPOLBDYRK1AHTT
SCHEMBL5202909 0.84 ALDH1A1 (0.43) SMN1; SMN2LMNAPOLBDYRK1AHTT
SCHEMBL999135 0.80 POLB (0.54) SMN1; SMN2LMNAPOLBDYRK1AHTT
SCHEMBL5201465 0.77 RAB9A (0.46) LMNADYRK1ACYP3A4CYP1A2CYP2C9
SCHEMBL5233057 0.77 CA2 (0.50) SMN1; SMN2LMNADYRK1AHTTKMT2A
SCHEMBL5231361 0.77 DYRK1A (0.44) SMN1; SMN2LMNADYRK1AHTTKMT2A
SCHEMBL5198179 0.74 HDAC3 (0.49) LMNADYRK1ACYP1A2
SCHEMBL5229628 0.74 SLC9A1 (0.53) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL19756727 0.74 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBDYRK1AHTT
SCHEMBL1884933 0.74 HDAC1 (0.60) SMN1; SMN2LMNAPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527073-B1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1527073-A1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS Bayer HealthCare AG (DE) 2005-05-04 EP disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2004013136-A1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2004-02-12 WO disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed