SCHEMBL2487417

SCHEMBL2487417

COC(=O)OC1Cc2ccccc2N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MTNR1A P48039 4/20 0.43
MTNR1B P49286 2/20 0.43
EPHX2 P34913 1/20 0.41
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EGFR P00533 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
GRM7 Q14831 2/20 0.34
NPY5R Q15761 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL8444853 1.00 GAA (0.49) GAAMAPTMTNR1AMTNR1BEPHX2
SCHEMBL27477039 0.84 GAA (0.51) GAAMAPTMTNR1AMTNR1BEPHX2
SCHEMBL3043496 0.84 MAPT (0.45) GAAMAPTMTNR1AMTNR1BBRD4
Hydrochloric Acid SCHEMBL3052246 0.82 MAPT (0.44) GAAMAPTMTNR1AMTNR1BBRD4
SCHEMBL1386080 0.82 GAA (0.57) GAAMAPTMTNR1AMTNR1BEPHX2
SCHEMBL5688979 0.82 GAA (0.57) GAAMAPTMTNR1AMTNR1BEPHX2
SCHEMBL5688782 0.82 GAA (0.57) GAAMAPTMTNR1AMTNR1BEPHX2
Hydrochloric Acid SCHEMBL7313114 0.81 GAA (0.56) GAAMAPTMTNR1AMTNR1BEPHX2
SCHEMBL8120364 0.81 GAA (0.51) GAAMAPTMTNR1AMTNR1BEPHX2
SCHEMBL9242621 0.80 ROCK2 (0.33) GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed