SCHEMBL19856901

SCHEMBL19856901

Cc1ccccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.38
CYP51A1 Q16850 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
PYGL P06737 3/20 0.34
PLD1 Q13393 2/20 0.34
BCAT1 P54687 1/20 0.34
PLD2 O14939 1/20 0.33
PYGM P11217 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GAA P10253 1/20 0.33
GHSR Q92847 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MLLT1 Q03111 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL19856903 1.00 STAT6 (0.38) STAT6CYP51A1SMYD3PYGLPLD1
SCHEMBL19857011 0.88 SMYD3 (0.37) STAT6CYP51A1SMYD3DRD1DRD4
SCHEMBL4344872 0.87 SMYD3 (0.37) STAT6CYP51A1SMYD3PYGLPYGM
SCHEMBL4343724 0.86 CYP51A1 (0.36) STAT6CYP51A1SMYD3PYGLPYGM
SCHEMBL4343721 0.83 TDP1 (0.36) STAT6CYP51A1SMYD3PYGLBCAT1
SCHEMBL4341332 0.83 HTRA1 (0.36) STAT6CYP51A1SMYD3PYGLDRD3
SCHEMBL19856915 0.83 TDP1 (0.36) STAT6CYP51A1SMYD3PYGLBCAT1
SCHEMBL4335350 0.83 TDP1 (0.36) STAT6CYP51A1SMYD3PYGLBCAT1
SCHEMBL19856965 0.83 TDP1 (0.36) STAT6CYP51A1SMYD3PYGLBCAT1
SCHEMBL4350449 0.83 HTRA1 (0.36) STAT6CYP51A1SMYD3PYGLDRD3

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
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed