SCHEMBL1967889

SCHEMBL1967889

CCN(CC)C(=O)[AsH]c1ccc2[nH]nc(C(=O)N[C@@H]3CN4CCC3CC4)c2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.61
HTR3A P46098 3/20 0.61
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
DYRK1A Q13627 10/20 0.41
WNT1 P04628 1/20 0.41
GSK3B P49841 6/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL1964340 0.84 CHRNA7 (0.63) CHRNA7HTR3AMEN1KMT2AATM
SCHEMBL12059656 0.84 CHRNA7 (0.63) CHRNA7HTR3AMEN1KMT2AATM
SCHEMBL12315101 0.83 CHRNA7 (0.66) CHRNA7HTR3AMEN1KMT2AATM
SCHEMBL1963671 0.81 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL2789557 0.81 CHRNA7 (0.64) CHRNA7HTR3AMEN1KMT2AATM
SCHEMBL1965825 0.80 CHRNA7 (0.74) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL15199691 0.80 CHRNA7 (0.74) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL1965456 0.80 CHRNA7 (0.65) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL1965159 0.80 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL12059966 0.80 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1GSK3B

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-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed