SCHEMBL16626672

SCHEMBL16626672

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Nc3ccc(Oc4ccccc4)cc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NAMPT P43490 1/20 0.35
EGLN2 Q96KS0 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
GAA P10253 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MAP2K1 Q02750 2/20 0.33
RAF1 P04049 1/20 0.33
SLC6A4 P31645 2/20 0.32
HTR2C P28335 1/20 0.32
TTBK1 Q5TCY1 1/20 0.32
TTBK2 Q6IQ55 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL19984136 0.85 MEN1 (0.39) MAPTNAMPTHTR2CMETAP2
SCHEMBL19984214 0.85 MEN1 (0.32) ALDH1A1LMNAMAPTNAMPTSLC6A4
SCHEMBL16626370 0.83 MAPK8 (0.35) ALDH1A1HTTNAMPTHTR2CNPC1
SCHEMBL16626459 0.82 GAA (0.39) ALDH1A1KDM4ELMNAMAPTNAMPT
SCHEMBL16626730 0.82 EGFR (0.38) ALDH1A1LMNAMAPTHTTNAMPT
SCHEMBL16626433 0.82 EGFR (0.33)
SCHEMBL16626457 0.82 PARP14 (0.33)
SCHEMBL19984086 0.81 EGFR (0.34) SLC6A4HTR2CSLC6A2
SCHEMBL16626676 0.81 P2RX7 (0.38) HTR2C
SCHEMBL16626464 0.81 NAMPT (0.35) NAMPT

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
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed
WO-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO disclosed