SCHEMBL28215833

SCHEMBL28215833

CN(C)CCS(=O)(=O)NP(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.38
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 1/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
CACNA1B Q00975 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
LIMK2 P53671 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL28215742 0.78 MEN1 (0.41) MAPT
SCHEMBL28838118 0.77 HTR6 (0.36) HTR6
SCHEMBL17207815 0.70 KEAP1 (0.46) HTR6
SCHEMBL14818772 0.70 ALDH1A1 (0.44) MAPTLIMK2
SCHEMBL28215719 0.70 KDM1A (0.47) HTR2AHRH1
SCHEMBL9907231 0.69 TAAR1 (0.42) TAAR1HTR2AHRH1MALT1
SCHEMBL28215831 0.68 THRA (0.51) HTR6MAPTHTR2AHRH1CACNA1B
SCHEMBL12827298 0.67 PSIP1 (0.56) HTR6TAAR1MAPT
SCHEMBL14803782 0.67 KMT2A (0.49) METAP2
SCHEMBL10790182 0.65 CYP3A4 (0.60) HTR6TAAR1MAPTHTR2AHRH1

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
CN-107922362-A 1,3, 4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same 株式会社钟根堂 2018-04-17 CN disclosed