SCHEMBL29932142

SCHEMBL29932142

CN1CC2(CCC(c3ccccc3-c3cc(S(=O)(=O)N(C)C)ccc3S(N)(=O)=O)CC2)c2ccc(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.33
HTR2A P28223 4/20 0.32
HTR1A P08908 3/20 0.32
DRD2 P14416 3/20 0.32
HTR7 P34969 3/20 0.32
RORC P51449 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2C P28335 1/20 0.31
PTGS2 P35354 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL29932037 0.79 MCOLN2 (0.37) LMNAGAAHTT
SCHEMBL23536699 0.75 HTR6 (0.52) DRD2
SCHEMBL29932225 0.73 GAA (0.40) LMNATP53GAAHTTSMN1; SMN2
SCHEMBL23536404 0.73 SLC18A3 (0.37) PDE4BDRD2HTT
SCHEMBL29931872 0.73 SLC18A3 (0.37) PDE4BDRD2HTT
SCHEMBL23536524 0.66 SMN1; SMN2 (0.36) HTR2ALMNATP53GAAHTT
SCHEMBL29948612 0.66 LMNA (0.36) HTR2AHTR1ADRD2HTR7LMNA
SCHEMBL23536663 0.64 HTR6 (0.46) HTR2AHTR1ADRD2RORCLMNA
SCHEMBL23555161 0.64 SLC18A3 (0.38) HTR1ATP53HTTHTR2C
SCHEMBL19029431 0.64 PDE4B (0.65) PDE4B

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-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed