SCHEMBL21603833

SCHEMBL21603833

CN(C)C(S)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CASP3 P42574 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 7/20 0.39
HTT P42858 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL11037264 0.78 TDP1 (0.50) TDP1CASP3LMNAALDH1A1HTT
SCHEMBL11229719 0.77 TDP1 (0.53) TDP1CASP3LMNAALDH1A1HTT
SCHEMBL6988522 0.76 TDP1 (0.47) TDP1CASP3LMNAALDH1A1HTT
SCHEMBL9149761 0.74 TDP1 (0.47) TDP1CASP3LMNAALDH1A1GAA
SCHEMBL166122 0.72 TDP1 (0.57) TDP1CASP3LMNAALDH1A1HTT
SCHEMBL6656473 0.72 TDP1 (0.57) TDP1CASP3LMNAALDH1A1HTT
SCHEMBL29381145 0.72 TDP1 (0.57) TDP1CASP3LMNAALDH1A1HTT
SCHEMBL1892274 0.70 TDP1 (0.55) TDP1CASP3LMNAALDH1A1HTT
SCHEMBL27755640 0.69 TDP1 (0.65) TDP1CASP3LMNAALDH1A1HTT
SCHEMBL9385959 0.69 TDP1 (0.46) TDP1CASP3LMNAALDH1A1GAA

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