SCHEMBL31299652

SCHEMBL31299652

[2H]C([2H])([2H])ONC(=O)c1nnsc1C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ILK Q13418 1/20 0.44
ALDH1A1 P00352 9/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL31299670 0.80 GAA (0.36) TSHRILKALDH1A1CYP1A2KDM4E
SCHEMBL31299616 0.79 TSHR (0.53) TSHRILKALDH1A1CYP1A2KDM4E
SCHEMBL2211256 0.73 MAPT (0.54) TSHRILKALDH1A1CYP1A2POLB
SCHEMBL22263170 0.71 TSHR (0.44) TSHRILKALDH1A1CYP1A2KDM4E
SCHEMBL4950787 0.71 TSHR (0.44) TSHRILKALDH1A1CYP1A2KDM4E
SCHEMBL28812803 0.71 TSHR (0.44) TSHRILKALDH1A1CYP1A2KDM4E
SCHEMBL1434485 0.71 TSHR (0.44) TSHRILKALDH1A1CYP1A2KDM4E
SCHEMBL7516781 0.70 TSHR (0.58) TSHRILKALDH1A1CYP1A2KDM4E
SCHEMBL27969503 0.70 TSHR (0.46) TSHRILKALDH1A1CYP1A2KDM4E
SCHEMBL7794327 0.70 TSHR (0.61) TSHRILKALDH1A1CYP1A2KDM4E

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-4735426-A1 HETEROAROMATIC DHODH INHIBITORS Immunic AG (DE) 2026-05-06 EP disclosed
WO-2025003402-A1 HETEROAROMATIC DHODH INHIBITORS IMMUNIC AG (DE) 2025-01-02 WO disclosed