SCHEMBL23536015

SCHEMBL23536015

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)CCc2cccc(F)c2N2CCC(C=O)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.37
MCOLN2 Q8IZK6 1/20 0.35
RORC P51449 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 3/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
C5AR1 P21730 2/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL23536515 0.82 MEN1 (0.34) PAX8MCOLN2RORCLMNAKDM4E
SCHEMBL29948512 0.79 MCOLN2 (0.56) PAX8MCOLN2CYP3A4CYP2C9CYP2C19
SCHEMBL29931917 0.78 MCOLN2 (0.35) PAX8MCOLN2RORCCYP3A4CYP2C9
SCHEMBL23536202 0.77 MAPT (0.40) PAX8MAPTLMNATHRBKDM4E
SCHEMBL23536277 0.77 GPR119 (0.36) PAX8MCOLN2RORC
SCHEMBL29931763 0.74 PAX8 (0.36) PAX8MCOLN2CYP3A4HTR2AHTR2C
SCHEMBL23536497 0.74 PAX8 (0.36) PAX8MCOLN2CYP3A4HTR2AHTR2C
SCHEMBL29031114 0.72 KDM4E (0.39) C5AR1KDM4E
SCHEMBL23536018 0.72 ALDH1A1 (0.42) PAX8RORCHTR2AHTR2CLMNA
SCHEMBL23536045 0.70 ALDH1A1 (0.32) LMNAC5AR1KDM4EL3MBTL1

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