SCHEMBL28957232

SCHEMBL28957232

CC(=O)C1CCN(S(C)(=O)=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.42
NOTUM Q6P988 2/20 0.41
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL19643771 0.88 HTR6 (0.45) HTR6NOTUMMAPTMEN1KMT2A
SCHEMBL19642763 0.85 HTR6 (0.41) HTR6MAPTMAPK1MEN1KMT2A
SCHEMBL15336103 0.77 SLC6A2 (0.43) HTR6NOTUMMAPK1TSHRKMT2A
SCHEMBL30099065 0.75 HTR6 (0.43) HTR6NOTUM
SCHEMBL19644531 0.72 F12 (0.54)
SCHEMBL19644293 0.72 F12 (0.54)
SCHEMBL13165472 0.71 NOTUM (0.44) NOTUMMAPTTSHR
SCHEMBL14399667 0.70 HTR6 (0.52) HTR6
SCHEMBL13674833 0.68 NOTUM (0.51) HTR6NOTUMMAPTTSHRMEN1
SCHEMBL28279788 0.67 KDM4C (0.43) HTR6NOTUMTSHR

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-109475530-A For treating the aminoacyl indazole immunomodulator of autoimmune disease 洛克菲勒大学 2019-03-15 CN disclosed