SCHEMBL23536239

SCHEMBL23536239

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2nn(C)cc2C2=CCN(C(=O)O)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MCOLN2 Q8IZK6 1/20 0.33
HTR6 P50406 1/20 0.33
KIT P10721 2/20 0.33
JAK1 P23458 1/20 0.33
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 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
SCHEMBL23536235 0.88 HTR6 (0.46) HTR6KITJAK1
SCHEMBL29948528 0.85 JAK1 (0.37) ALDH1A1JAK1KMT2A
SCHEMBL28867443 0.79 SCN9A (0.38) HTR6KIT
SCHEMBL29931919 0.77 MAPT (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2MCOLN2
SCHEMBL23536374 0.75 EDNRA (0.42) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23536398 0.70 SHMT2 (0.35) ALDH1A1SMN1; SMN2HTR6KITNPC1
SCHEMBL18129575 0.69 IGF1R (0.48)
SCHEMBL29071633 0.68 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL23536418 0.66 LIMK2 (0.46) JAK1
SCHEMBL28867493 0.65 NMT1 (0.38) MCOLN2HTR6

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
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed