SCHEMBL10106809

SCHEMBL10106809

CCOc1ccc(S(=O)(=O)Nc2cccc(CI)c2)cc1N1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.55
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
HTR1A P08908 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
DRD3 P35462 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
DRD2 P14416 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL4549898 0.90 HTR6 (0.67) HTR6KMT2AKDM4EMEN1ALDH1A1
SCHEMBL2719797 0.90 HTR6 (0.54) HTR6KMT2AKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9105971 0.89 HTR6 (0.53) HTR6KMT2AKDM4EMEN1ALDH1A1
SCHEMBL6185721 0.83 HTR6 (0.66) HTR6KMT2AKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6189424 0.82 HTR6 (0.64) HTR6KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4550066 0.81 HTR6 (0.62) HTR6HTR1AHTR2CHTR7HTR2B
SCHEMBL9889154 0.80 HTR6 (0.64) HTR6KMT2AKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2720926 0.80 HTR6 (0.61) HTR6HTR1AHTR2CHTR7HTR2B
Hydrochloric Acid SCHEMBL2720322 0.80 HTR6 (0.63) HTR6KMT2AKDM4EMEN1ALDH1A1
SCHEMBL6187692 0.77 HTR6 (0.84) HTR6KMT2AKDM4EMEN1ALDH1A1

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
WO-2012059432-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2012-05-10 WO disclosed