SCHEMBL19971358

SCHEMBL19971358

CNC(=O)OCc1cn(S(=O)(=O)c2ccccc2)c2cc(Nc3ccc(C)cc3F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.39
HTR6 P50406 12/20 0.39
TNFSF11 O14788 2/20 0.38
PLK1 P53350 1/20 0.37
P2RX7 Q99572 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL19971401 0.93 HTR6 (0.39) ALKHTR6
SCHEMBL19971356 0.91 IDE (0.37) ALKP2RX7PDE4APDE4BPDE4C
SCHEMBL16626603 0.85 HTR6 (0.45) ALKHTR6TNFSF11
Hydrochloric Acid SCHEMBL16618833 0.84 HTR6 (0.44) ALKHTR6TNFSF11
SCHEMBL16618951 0.84 HTR6 (0.46) ALKHTR6TNFSF11
SCHEMBL16626614 0.81 HTR6 (0.41) ALKHTR6TNFSF11
SCHEMBL16626742 0.80 HTR6 (0.42) ALKHTR6TNFSF11PDE4APDE4B
Hydrochloric Acid SCHEMBL16618770 0.80 HTR6 (0.41) ALKHTR6TNFSF11PDE4APDE4B
SCHEMBL16626773 0.80 HTR6 (0.43) ALKHTR6PDE4APDE4BPDE4C
SCHEMBL19971361 0.80 HTR6 (0.36) HTR6KMT2A

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
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed