SCHEMBL1377282

SCHEMBL1377282

CSc1ccccc1NS(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.55
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
NCF1 P14598 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
MTOR P42345 1/20 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
SCHEMBL3621140 0.84 HTR6 (0.57) HTR6ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL1377923 0.83 ALDH1A1 (0.55) HTR6ALDH1A1SMN1; SMN2KMT2AGAA
Hydrochloric Acid SCHEMBL1382314 0.83 HTR6 (0.56) HTR6ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL1381342 0.82 HTR6 (0.58) HTR6BRD4HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL6047108 0.81 HTR6 (0.57) HTR6ALDH1A1BRD4HTR1AHTR1D
SCHEMBL30735820 0.81 HTR6 (0.66) HTR6ALDH1A1SMN1; SMN2KMT2ABRD4
SCHEMBL3609792 0.81 HTR6 (0.66) HTR6ALDH1A1SMN1; SMN2KMT2ABRD4
SCHEMBL1381586 0.80 HTR6 (0.56) HTR6POLBALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL6047117 0.80 HTR6 (0.64) HTR6ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL1380982 0.79 HTR6 (0.57) HTR6HTR3EHTR3BCYP1A2HTR1A

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
JP-4731114-B2 2011-07-20 JP claimed