SCHEMBL8670259

SCHEMBL8670259

O=C(C1CCc2ccccc2N1)C1CC(S(=O)(=O)c2ccccc2)C(c2ccccc2F)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.36
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
PTGS2 P35354 1/20 0.34
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
AKR1C3 P42330 1/20 0.32
HTR6 P50406 1/20 0.31
MEN1 O00255 1/20 0.31
NSD2 O96028 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
DNMT1 P26358 1/20 0.31
RECQL P46063 1/20 0.31
VCP P55072 1/20 0.31
CASP6 P55212 1/20 0.31
UBE2I P63279 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL8871034 0.80 KMT2A (0.38) MAPTHTR2AMEN1NSD2ALDH1A1
SCHEMBL8666857 0.80 KMT2A (0.38) MAPTHTR2AMEN1NSD2ALDH1A1
Hydrochloric Acid SCHEMBL8666991 0.79 KMT2A (0.37) MAPTHTR2AMEN1NSD2ALDH1A1
SCHEMBL8665662 0.74 HDAC2 (0.40) GAAMEN1POLBKMT2A
SCHEMBL8668534 0.74 SMN1; SMN2 (0.46) MAPTGAAMEN1ALDH1A1POLB
SCHEMBL8689402 0.73 MEN1 (0.35) MAPTMEN1ALDH1A1POLBKMT2A
SCHEMBL8685324 0.73 L3MBTL1 (0.38) MAPTMEN1POLBRECQLKMT2A
SCHEMBL8666219 0.73 KMT2A (0.34) GAAMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8689708 0.72 MEN1 (0.35) MAPTMEN1ALDH1A1POLBKMT2A
SCHEMBL4019694 0.72 SMYD3 (0.58) SMYD3MAPTGAAHTR1AHTR2A

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
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 US disclosed