SCHEMBL21597746

SCHEMBL21597746

CS(=O)(=O)N[C@H]1CCc2sc(NC(=O)C3CC3)c(S(=O)(=O)Cl)c2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.41
FLT3 P36888 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
REV1 Q9UBZ9 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CNR2 P34972 2/20 0.34
HPGD P15428 2/20 0.34
CNR1 P21554 1/20 0.34
NPY1R P25929 1/20 0.34

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
SCHEMBL28607689 1.00 KDM4E (0.41) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21597804 0.83 MAPT (0.37) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL28610714 0.82 ALDH1A1 (0.39) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21597730 0.78 FLT3 (0.60) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21597538 0.78 KMT2A (0.54) KDM4EMAPTHSD17B10ALDH1A1GAA
SCHEMBL21597372 0.77 CNR2 (0.46) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21597477 0.77 REV1 (0.44) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21603849 0.77 REV1 (0.44) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21597559 0.77 EPHX2 (0.45) KDM4EMAPTHSD17B10ALDH1A1GAA
SCHEMBL21597875 0.75 KDM4E (0.60) KDM4EMAPTHSD17B10FLT3ALDH1A1

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-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed