SCHEMBL20141590

SCHEMBL20141590

Cc1ccc(S(=O)(=O)n2ccc3c(C(=O)N4CCN(c5ccccc5C#N)CC4)cc(Br)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.46
KDM1A O60341 3/20 0.42
DRD2 P14416 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KCNH2 Q12809 1/20 0.40
MTOR P42345 1/20 0.40
RPTOR Q8N122 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
DRD4 P21917 3/20 0.40

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
SCHEMBL20140911 0.88 HTR6 (0.44) HTR6KDM1ADRD2HTR1AHTR2A
SCHEMBL20141270 0.88 HTR6 (0.44) HTR6KDM1ADRD2HTR1AHTR2A
SCHEMBL20140762 0.87 HTR6 (0.47) HTR6KDM1ADRD2HTR2AALDH1A1
SCHEMBL20157134 0.86 ALDH1A1 (0.40) HTR6KDM1ADRD2MEN1ALDH1A1
SCHEMBL20157133 0.77 MTOR (0.39) HTR6KDM1ADRD2MEN1ALDH1A1
SCHEMBL20157131 0.77 CFTR (0.40) HTR6KDM1ADRD2MEN1ALDH1A1
SCHEMBL20157106 0.76 HTR6 (0.46) HTR6KDM1ADRD2HTR1AHTR2A
SCHEMBL20142330 0.76 HTR6 (0.45) HTR6DRD2HTR2AMEN1ALDH1A1
SCHEMBL20140817 0.74 AKR1C3 (0.50) HTR6MEN1HTTKMT2AALOX5
SCHEMBL20140396 0.72 HTR6 (0.45) HTR6KDM1ADRD2HTR2AMEN1

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed