SCHEMBL3719218

SCHEMBL3719218

O=C(O)c1cc(=O)n(CCN2CCOCC2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.44
DAO P14920 1/20 0.41
TERT O14746 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL3718715 0.88 TSHR (0.45) TSHRGAADAOTERTALDH1A1
SCHEMBL13401695 0.77 SMN1; SMN2 (0.42) TSHRLMNACYP2C19ALDH1A1HPGD
SCHEMBL7403411 0.74 ALOX15 (0.45) TSHRGAADAOLMNACYP2C19
SCHEMBL9715396 0.72 NFKB1 (0.44) TSHRGAADAOLMNACYP2C19
SCHEMBL3797821 0.70 ALDH1A1 (0.59) GAAALDH1A1HPGDMAPTKMT2A
SCHEMBL26948701 0.69 ALOX15 (0.40) TSHRGAALMNAALDH1A1MAPT
SCHEMBL3793592 0.67 SMN1; SMN2 (0.48) TSHRGAALMNACYP2C19ALDH1A1
SCHEMBL739228 0.66 HTR7 (0.73) TSHRLMNAALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL11439571 0.65 SMN1; SMN2 (0.47) TSHRGAALMNACYP2C19ALDH1A1
Pyromellitic Acid SCHEMBL11649085 0.65 ALDH1A1 (0.58) LMNACYP2C19ALDH1A1GLAMAPT

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-2010129848-A2 2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 WO disclosed