SCHEMBL7877945

SCHEMBL7877945

COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1C1CCN(C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.51
HTR1B P28222 8/20 0.51
HTR2A P28223 6/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
SLC6A4 P31645 3/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 3/20 0.51
TP53 P04637 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTR2C P28335 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL7887345 0.85 HTR1D (0.70) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6925638 0.85 HTR1D (0.70) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7882795 0.83 HTR1D (0.73) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7161726 0.81 HTR1D (0.75) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7878033 0.80 HTR1D (0.44) HTR1DHTR2AMAPTSLC6A4HTR2C
Oxalic Acid SCHEMBL6926422 0.79 HTR1D (0.72) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8934383 0.78 HTR1D (0.71) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7885324 0.77 HTR1D (0.42) HTR1DHTR1BHTR2AMEN1KMT2A
SCHEMBL7887044 0.76 HTR6 (0.61) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7886696 0.76 MAPK14 (0.43) HTR1DHTR1BHTR2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098892-A1 BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2001-05-16 EP disclosed
WO-2000005225-A1 BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-03 WO disclosed